[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

C31H30N8O3 — CID 70941043

IUPAC[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
SMILESNc1ncccc1-c1nc2ccc(-c3cccc(N4CCOCC4)n3)nc2n1-c1ccc(C2(NC(=O)O)CCC2)cc1
InChIInChI=1S/C31H30N8O3/c32-27-22(4-2-15-33-27)28-36-25-12-11-24(23-5-1-6-26(34-23)38-16-18-42-19-17-38)35-29(25)39(28)21-9-7-20(8-10-21)31(13-3-14-31)37-30(40)41/h1-2,4-12,15,37H,3,13-14,16-19H2,(H2,32,33)(H,40,41)
InChIKeyBAAIWXYNKFNUKX-UHFFFAOYSA-N
MW562.63 g/mol
LogP4.61
Rot. Bonds6

About [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 70941043) has the molecular formula C31H30N8O3 and a molecular weight of 562.63 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
PubChem CID70941043
Molecular FormulaC31H30N8O3
Molecular Weight562.63 g/mol
Exact Mass562.24
IUPAC Name[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
SMILESNc1ncccc1-c1nc2ccc(-c3cccc(N4CCOCC4)n3)nc2n1-c1ccc(C2(NC(=O)O)CCC2)cc1
InChIInChI=1S/C31H30N8O3/c32-27-22(4-2-15-33-27)28-36-25-12-11-24(23-5-1-6-26(34-23)38-16-18-42-19-17-38)35-29(25)39(28)21-9-7-20(8-10-21)31(13-3-14-31)37-30(40)41/h1-2,4-12,15,37H,3,13-14,16-19H2,(H2,32,33)(H,40,41)
InChIKeyBAAIWXYNKFNUKX-UHFFFAOYSA-N
XLogP4.61
TPSA144.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (CID 70941043) is [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCOCC4)n3)nc2n1-c1ccc(C2(NC(=O)O)CCC2)cc1.
What is the InChIKey of [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is BAAIWXYNKFNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O3/c32-27-22(4-2-15-33-27)28-36-25-12-11-24(23-5-1-6-26(34-23)38-16-18-42-19-17-38)35-29(25)39(28)21-9-7-20(8-10-21)31(13-3-14-31)37-30(40)41/h1-2,4-12,15,37H,3,13-14,16-19H2,(H2,32,33)(H,40,41).
What are the key properties of [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 562.63 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 70941043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).