N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C112H109F2N27O7S3 — CID 158618792

IUPACN-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(S(C)(=O)=O)C1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCS(=O)(=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCN(S(C)(=O)=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCNCC1.O=C(NC1CC(F)(F)C1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C23H24N6O2S.2C23H23N5O2S.C22H22N6.C21H17F2N5O/c1-16(28-11-13-29(14-12-28)32(2,30)31)19-6-3-5-17-15-18(8-9-20(17)19)25-23-22-21(26-27-23)7-4-10-24-22;1-15(28-12-10-18(14-28)31(2,29)30)19-6-3-5-16-13-17(8-9-20(16)19)25-23-22-21(26-27-23)7-4-11-24-22;1-16(28-11-4-13-31(29,30)14-12-28)19-6-2-5-17-15-18(8-9-20(17)19)25-23-22-21(26-27-23)7-3-10-24-22;1-15(28-12-10-23-11-13-28)18-5-2-4-16-14-17(7-8-19(16)18)25-22-21-20(26-27-22)6-3-9-24-21;22-21(23)10-14(11-21)26-20(29)16-4-1-3-12-9-13(6-7-15(12)16)25-19-18-17(27-28-19)5-2-8-24-18/h3-10,15H,1,11-14H2,2H3,(H2,25,26,27);3-9,11,13,18H,1,10,12,14H2,2H3,(H2,25,26,27);2-3,5-10,15H,1,4,11-14H2,(H2,25,26,27);2-9,14,23H,1,10-13H2,(H2,25,26,27);1-9,14H,10-11H2,(H,26,29)(H2,25,27,28)
InChIKeyHXSPQBPENHOULF-UHFFFAOYSA-N
MW2079.48 g/mol
LogP19.41
Rot. Bonds22

About N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 158618792) has the molecular formula C112H109F2N27O7S3 and a molecular weight of 2079.48 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID158618792
Molecular FormulaC112H109F2N27O7S3
Molecular Weight2079.48 g/mol
Exact Mass2077.81
IUPAC NameN-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(S(C)(=O)=O)C1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCS(=O)(=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCN(S(C)(=O)=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCNCC1.O=C(NC1CC(F)(F)C1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C23H24N6O2S.2C23H23N5O2S.C22H22N6.C21H17F2N5O/c1-16(28-11-13-29(14-12-28)32(2,30)31)19-6-3-5-17-15-18(8-9-20(17)19)25-23-22-21(26-27-23)7-4-10-24-22;1-15(28-12-10-18(14-28)31(2,29)30)19-6-3-5-16-13-17(8-9-20(16)19)25-23-22-21(26-27-23)7-4-11-24-22;1-16(28-11-4-13-31(29,30)14-12-28)19-6-2-5-17-15-18(8-9-20(17)19)25-23-22-21(26-27-23)7-3-10-24-22;1-15(28-12-10-23-11-13-28)18-5-2-4-16-14-17(7-8-19(16)18)25-22-21-20(26-27-22)6-3-9-24-21;22-21(23)10-14(11-21)26-20(29)16-4-1-3-12-9-13(6-7-15(12)16)25-19-18-17(27-28-19)5-2-8-24-18/h3-10,15H,1,11-14H2,2H3,(H2,25,26,27);3-9,11,13,18H,1,10,12,14H2,2H3,(H2,25,26,27);2-3,5-10,15H,1,4,11-14H2,(H2,25,26,27);2-9,14,23H,1,10-13H2,(H2,25,26,27);1-9,14H,10-11H2,(H,26,29)(H2,25,27,28)
InChIKeyHXSPQBPENHOULF-UHFFFAOYSA-N
XLogP19.41
TPSA427.75 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002079.48
LogP ≤ 519.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine with MolForge

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Related Compounds

azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)
CID 157162758
1-(1,1-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluorobutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine;N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 157684937
N-[5-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-[(3R)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(2-methylsulfonylethyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;N-[5-[1-(1,4-oxazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide
CID 157827403
N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(3-methylsulfonylpropyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;1-[4-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperazin-1-yl]ethanone
CID 158124679
N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 158320957
azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)
CID 159768244
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 159855630
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 159859870
1-butyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;1-(cyclobutylmethyl)-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;1-cyclobutyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;(3,3-difluoropiperidin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;methane;1-methyl-N-(2-methylsulfonylethyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide
CID 160412984
CID 161135533
CID 161135533
azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)
CID 161157124
N-[5-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-[(3R)-3-fluoropyrrolidin-1-yl]ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(2-methylsulfonylethyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)naphthalene-1-carboxamide;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 161390712

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 158618792) is N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(S(C)(=O)=O)C1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCS(=O)(=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCN(S(C)(=O)=O)CC1.C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCNCC1.O=C(NC1CC(F)(F)C1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is HXSPQBPENHOULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S.2C23H23N5O2S.C22H22N6.C21H17F2N5O/c1-16(28-11-13-29(14-12-28)32(2,30)31)19-6-3-5-17-15-18(8-9-20(17)19)25-23-22-21(26-27-23)7-4-10-24-22;1-15(28-12-10-18(14-28)31(2,29)30)19-6-3-5-16-13-17(8-9-20(16)19)25-23-22-21(26-27-23)7-4-11-24-22;1-16(28-11-4-13-31(29,30)14-12-28)19-6-2-5-17-15-18(8-9-20(17)19)25-23-22-21(26-27-23)7-3-10-24-22;1-15(28-12-10-23-11-13-28)18-5-2-4-16-14-17(7-8-19(16)18)25-22-21-20(26-27-22)6-3-9-24-21;22-21(23)10-14(11-21)26-20(29)16-4-1-3-12-9-13(6-7-15(12)16)25-19-18-17(27-28-19)5-2-8-24-18/h3-10,15H,1,11-14H2,2H3,(H2,25,26,27);3-9,11,13,18H,1,10,12,14H2,2H3,(H2,25,26,27);2-3,5-10,15H,1,4,11-14H2,(H2,25,26,27);2-9,14,23H,1,10-13H2,(H2,25,26,27);1-9,14H,10-11H2,(H,26,29)(H2,25,27,28).
What are the key properties of N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 2079.48 g/mol, XLogP of 19.41, 22 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;N-[5-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(4-methylsulfonylpiperazin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-[1-(3-methylsulfonylpyrrolidin-1-yl)ethenyl]naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1-piperazin-1-ylethenyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 158618792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).