3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C110H98N26O4 — CID 157401168

IUPAC3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)COC2)cc1
InChIInChI=1S/C29H27N7O.C29H26N6O.C26H23N7O.C26H22N6O/c1-32-28(37)19-6-2-5-18(17-19)23-12-13-24-27(34-23)36(26(35-24)22-7-3-16-33-25(22)30)21-10-8-20(9-11-21)29(31)14-4-15-29;1-18(36)19-5-2-6-20(17-19)24-12-13-25-28(33-24)35(27(34-25)23-7-3-16-32-26(23)30)22-10-8-21(9-11-22)29(31)14-4-15-29;1-29-26(34)18-5-2-4-17(14-18)21-11-12-22-25(31-21)33(19-9-7-16(15-27)8-10-19)24(32-22)20-6-3-13-30-23(20)28;27-23-20(7-4-14-29-23)24-31-22-13-12-21(17-5-2-1-3-6-17)30-25(22)32(24)19-10-8-18(9-11-19)26(28)15-33-16-26/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,33)(H,32,37);2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32);2-14H,15,27H2,1H3,(H2,28,30)(H,29,34);1-14H,15-16,28H2,(H2,27,29)
InChIKeyBNEIHLNYPZKWIG-UHFFFAOYSA-N
MW1848.17 g/mol
LogP17.17
Rot. Bonds19

About 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 157401168) has the molecular formula C110H98N26O4 and a molecular weight of 1848.17 g/mol. Its IUPAC name is 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID157401168
Molecular FormulaC110H98N26O4
Molecular Weight1848.17 g/mol
Exact Mass1846.83
IUPAC Name3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)COC2)cc1
InChIInChI=1S/C29H27N7O.C29H26N6O.C26H23N7O.C26H22N6O/c1-32-28(37)19-6-2-5-18(17-19)23-12-13-24-27(34-23)36(26(35-24)22-7-3-16-33-25(22)30)21-10-8-20(9-11-21)29(31)14-4-15-29;1-18(36)19-5-2-6-20(17-19)24-12-13-25-28(33-24)35(27(34-25)23-7-3-16-32-26(23)30)22-10-8-21(9-11-22)29(31)14-4-15-29;1-29-26(34)18-5-2-4-17(14-18)21-11-12-22-25(31-21)33(19-9-7-16(15-27)8-10-19)24(32-22)20-6-3-13-30-23(20)28;27-23-20(7-4-14-29-23)24-31-22-13-12-21(17-5-2-1-3-6-17)30-25(22)32(24)19-10-8-18(9-11-19)26(28)15-33-16-26/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,33)(H,32,37);2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32);2-14H,15,27H2,1H3,(H2,28,30)(H,29,34);1-14H,15-16,28H2,(H2,27,29)
InChIKeyBNEIHLNYPZKWIG-UHFFFAOYSA-N
XLogP17.17
TPSA467.06 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.17
LogP ≤ 517.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 71138481
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 53262499
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;hydrochloride
CID 67304398
1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N-methylpiperidine-4-carboxamide
CID 71138545
3-[4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperazin-1-yl]butan-2-one
CID 146619451
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
CID 171069063
N-[2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylanilino]ethyl]-N-methylacetamide
CID 170086941
4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholin-3-one
CID 53262177
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-[(2S)-2-hydroxypropyl]benzamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-[(2R)-2-hydroxypropyl]benzamide;3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)-N-phenylimidazo[4,5-b]pyridin-5-amine;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 158637688
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 67311603
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345075
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(1,1-dihydroxy-1,4-thiazinan-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 123542681

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 157401168) is 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)COC2)cc1.
What is the InChIKey of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is BNEIHLNYPZKWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O.C29H26N6O.C26H23N7O.C26H22N6O/c1-32-28(37)19-6-2-5-18(17-19)23-12-13-24-27(34-23)36(26(35-24)22-7-3-16-33-25(22)30)21-10-8-20(9-11-21)29(31)14-4-15-29;1-18(36)19-5-2-6-20(17-19)24-12-13-25-28(33-24)35(27(34-25)23-7-3-16-32-26(23)30)22-10-8-21(9-11-22)29(31)14-4-15-29;1-29-26(34)18-5-2-4-17(14-18)21-11-12-22-25(31-21)33(19-9-7-16(15-27)8-10-19)24(32-22)20-6-3-13-30-23(20)28;27-23-20(7-4-14-29-23)24-31-22-13-12-21(17-5-2-1-3-6-17)30-25(22)32(24)19-10-8-18(9-11-19)26(28)15-33-16-26/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,33)(H,32,37);2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32);2-14H,15,27H2,1H3,(H2,28,30)(H,29,34);1-14H,15-16,28H2,(H2,27,29).
What are the key properties of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 1848.17 g/mol, XLogP of 17.17, 19 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethanone;3-[3-[4-(aminomethyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-methylbenzamide;3-[3-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 157401168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).