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

C114H114N28O5 — CID 158637688

IUPAC3-[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
SMILESC[C@@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.C[C@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(N3CCOCC3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/2C31H31N7O2.C27H25N7.C25H27N7O/c2*1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31;28-24-21(8-4-17-30-24)25-32-22-13-14-23(31-19-6-2-1-3-7-19)33-26(22)34(25)20-11-9-18(10-12-20)27(29)15-5-16-27;26-22-19(3-1-12-28-22)23-29-20-8-9-21(31-13-15-33-16-14-31)30-24(20)32(23)18-6-4-17(5-7-18)25(27)10-2-11-25/h2*2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40);1-4,6-14,17H,5,15-16,29H2,(H2,28,30)(H,31,33);1,3-9,12H,2,10-11,13-16,27H2,(H2,26,28)/t2*19-;;/m10../s1
InChIKeyHZYZZANISGVAIV-DZXWATMVSA-N
MW1956.36 g/mol
LogP16.75
Rot. Bonds23

About 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

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 (PubChem CID 158637688) has the molecular formula C114H114N28O5 and a molecular weight of 1956.36 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-[(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.

Molecular Properties

Compound Name3-[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
PubChem CID158637688
Molecular FormulaC114H114N28O5
Molecular Weight1956.36 g/mol
Exact Mass1954.95
IUPAC Name3-[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
SMILESC[C@@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.C[C@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(N3CCOCC3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/2C31H31N7O2.C27H25N7.C25H27N7O/c2*1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31;28-24-21(8-4-17-30-24)25-32-22-13-14-23(31-19-6-2-1-3-7-19)33-26(22)34(25)20-11-9-18(10-12-20)27(29)15-5-16-27;26-22-19(3-1-12-28-22)23-29-20-8-9-21(31-13-15-33-16-14-31)30-24(20)32(23)18-6-4-17(5-7-18)25(27)10-2-11-25/h2*2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40);1-4,6-14,17H,5,15-16,29H2,(H2,28,30)(H,31,33);1,3-9,12H,2,10-11,13-16,27H2,(H2,26,28)/t2*19-;;/m10../s1
InChIKeyHZYZZANISGVAIV-DZXWATMVSA-N
XLogP16.75
TPSA505.72 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001956.36
LogP ≤ 516.75
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 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 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
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
4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide
CID 71138544
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
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-[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
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 67311603
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
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58344997

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-[(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?
The IUPAC name of 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) is 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.
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-[(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?
The canonical SMILES for 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 is C[C@@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.C[C@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(N3CCOCC3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)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-[(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?
The InChIKey is HZYZZANISGVAIV-DZXWATMVSA-N. The full InChI is InChI=1S/2C31H31N7O2.C27H25N7.C25H27N7O/c2*1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31;28-24-21(8-4-17-30-24)25-32-22-13-14-23(31-19-6-2-1-3-7-19)33-26(22)34(25)20-11-9-18(10-12-20)27(29)15-5-16-27;26-22-19(3-1-12-28-22)23-29-20-8-9-21(31-13-15-33-16-14-31)30-24(20)32(23)18-6-4-17(5-7-18)25(27)10-2-11-25/h2*2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40);1-4,6-14,17H,5,15-16,29H2,(H2,28,30)(H,31,33);1,3-9,12H,2,10-11,13-16,27H2,(H2,26,28)/t2*19-;;/m10../s1.
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-[(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?
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 has a molecular weight of 1956.36 g/mol, XLogP of 16.75, 23 rotatable bonds, 13 hydrogen bond donors, and 31 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-[(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 is sourced from PubChem (CID 158637688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).