N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol

C112H82F5N29O3 — CID 158564671

IUPACN-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol
SMILESCCOc1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cn1nccc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Fc1ccc(-c2ccco2)c2ccc(Cc3[nH]nc4cccnc34)cc12.Fc1ccc(-n2cccn2)c2ccc(Cc3[nH]nc4cccnc34)cc12.Oc1ccc(C(F)(F)F)c2ccc(Cc3[nH]nc4cccnc34)cc12.c1cnc2c(Cc3ccc4c(ccn5nnnc45)c3)[nH]nc2c1
InChIInChI=1S/C21H14FN3O.C20H14FN5.C19H15N7.C18H12F3N3O.C18H16N4O.C16H11N7/c22-17-8-7-15(20-4-2-10-26-20)14-6-5-13(11-16(14)17)12-19-21-18(24-25-19)3-1-9-23-21;21-16-6-7-19(26-10-2-9-23-26)14-5-4-13(11-15(14)16)12-18-20-17(24-25-18)3-1-8-22-20;1-26-16(7-10-22-26)17-14-5-4-13(11-12(14)6-9-21-17)23-19-18-15(24-25-19)3-2-8-20-18;19-18(20,21)13-5-6-16(25)12-8-10(3-4-11(12)13)9-15-17-14(23-24-15)2-1-7-22-17;1-2-23-16-7-3-5-12-11-13(8-9-14(12)16)20-18-17-15(21-22-18)6-4-10-19-17;1-2-13-15(17-6-1)14(19-18-13)9-10-3-4-12-11(8-10)5-7-23-16(12)20-21-22-23/h2*1-11H,12H2,(H,24,25);2-11H,1H3,(H2,23,24,25);1-8,25H,9H2,(H,23,24);3-11H,2H2,1H3,(H2,20,21,22);1-8H,9H2,(H,18,19)
InChIKeyHRHYVHBEGGOGHS-UHFFFAOYSA-N
MW1977.08 g/mol
LogP23.60
Rot. Bonds17

About N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol

N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol (PubChem CID 158564671) has the molecular formula C112H82F5N29O3 and a molecular weight of 1977.08 g/mol. Its IUPAC name is N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol.

Molecular Properties

Compound NameN-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol
PubChem CID158564671
Molecular FormulaC112H82F5N29O3
Molecular Weight1977.08 g/mol
Exact Mass1975.71
IUPAC NameN-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol
SMILESCCOc1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cn1nccc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Fc1ccc(-c2ccco2)c2ccc(Cc3[nH]nc4cccnc34)cc12.Fc1ccc(-n2cccn2)c2ccc(Cc3[nH]nc4cccnc34)cc12.Oc1ccc(C(F)(F)F)c2ccc(Cc3[nH]nc4cccnc34)cc12.c1cnc2c(Cc3ccc4c(ccn5nnnc45)c3)[nH]nc2c1
InChIInChI=1S/C21H14FN3O.C20H14FN5.C19H15N7.C18H12F3N3O.C18H16N4O.C16H11N7/c22-17-8-7-15(20-4-2-10-26-20)14-6-5-13(11-16(14)17)12-19-21-18(24-25-19)3-1-9-23-21;21-16-6-7-19(26-10-2-9-23-26)14-5-4-13(11-15(14)16)12-18-20-17(24-25-18)3-1-8-22-20;1-26-16(7-10-22-26)17-14-5-4-13(11-12(14)6-9-21-17)23-19-18-15(24-25-19)3-2-8-20-18;19-18(20,21)13-5-6-16(25)12-8-10(3-4-11(12)13)9-15-17-14(23-24-15)2-1-7-22-17;1-2-23-16-7-3-5-12-11-13(8-9-14(12)16)20-18-17-15(21-22-18)6-4-10-19-17;1-2-13-15(17-6-1)14(19-18-13)9-10-3-4-12-11(8-10)5-7-23-16(12)20-21-22-23/h2*1-11H,12H2,(H,24,25);2-11H,1H3,(H2,23,24,25);1-8,25H,9H2,(H,23,24);3-11H,2H2,1H3,(H2,20,21,22);1-8H,9H2,(H,18,19)
InChIKeyHRHYVHBEGGOGHS-UHFFFAOYSA-N
XLogP23.60
TPSA407.69 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.08
LogP ≤ 523.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol with MolForge

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Related Compounds

N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145034162
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 157372870
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 157498663
CID 157864560
CID 157864560
6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
CID 158080438
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158956043
N-[3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane
CID 158970582
N-[3-[2-[5-(5-amino-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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;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]-3-methylbutanamide;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]propanamide
CID 159176316
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(difluoromethoxy)phenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-(1H-indazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-(1H-indazol-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159188791
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 159296073

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol?
The IUPAC name of N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol (CID 158564671) is N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol.
What is the SMILES notation for N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol?
The canonical SMILES for N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol is CCOc1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cn1nccc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Fc1ccc(-c2ccco2)c2ccc(Cc3[nH]nc4cccnc34)cc12.Fc1ccc(-n2cccn2)c2ccc(Cc3[nH]nc4cccnc34)cc12.Oc1ccc(C(F)(F)F)c2ccc(Cc3[nH]nc4cccnc34)cc12.c1cnc2c(Cc3ccc4c(ccn5nnnc45)c3)[nH]nc2c1.
What is the InChIKey of N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol?
The InChIKey is HRHYVHBEGGOGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O.C20H14FN5.C19H15N7.C18H12F3N3O.C18H16N4O.C16H11N7/c22-17-8-7-15(20-4-2-10-26-20)14-6-5-13(11-16(14)17)12-19-21-18(24-25-19)3-1-9-23-21;21-16-6-7-19(26-10-2-9-23-26)14-5-4-13(11-15(14)16)12-18-20-17(24-25-18)3-1-8-22-20;1-26-16(7-10-22-26)17-14-5-4-13(11-12(14)6-9-21-17)23-19-18-15(24-25-19)3-2-8-20-18;19-18(20,21)13-5-6-16(25)12-8-10(3-4-11(12)13)9-15-17-14(23-24-15)2-1-7-22-17;1-2-23-16-7-3-5-12-11-13(8-9-14(12)16)20-18-17-15(21-22-18)6-4-10-19-17;1-2-13-15(17-6-1)14(19-18-13)9-10-3-4-12-11(8-10)5-7-23-16(12)20-21-22-23/h2*1-11H,12H2,(H,24,25);2-11H,1H3,(H2,23,24,25);1-8,25H,9H2,(H,23,24);3-11H,2H2,1H3,(H2,20,21,22);1-8H,9H2,(H,18,19).
What are the key properties of N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol?
N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol has a molecular weight of 1977.08 g/mol, XLogP of 23.60, 17 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxynaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-[[8-fluoro-5-(furan-2-yl)naphthalen-2-yl]methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(8-fluoro-5-pyrazol-1-ylnaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline;7-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)naphthalen-1-ol is sourced from PubChem (CID 158564671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).