3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C29H24FN7 — CID 58345206

IUPAC3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cc(F)cc4[nH]ccc34)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C29H24FN7/c30-18-15-22(20-10-14-33-25(20)16-18)23-8-9-24-28(35-23)37(27(36-24)21-3-1-13-34-26(21)31)19-6-4-17(5-7-19)29(32)11-2-12-29/h1,3-10,13-16,33H,2,11-12,32H2,(H2,31,34)
InChIKeyYPWDGVQYDCQXHK-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.69
Rot. Bonds4

About 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 58345206) has the molecular formula C29H24FN7 and a molecular weight of 489.56 g/mol. Its IUPAC name is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID58345206
Molecular FormulaC29H24FN7
Molecular Weight489.56 g/mol
Exact Mass489.21
IUPAC Name3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cc(F)cc4[nH]ccc34)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C29H24FN7/c30-18-15-22(20-10-14-33-25(20)16-18)23-8-9-24-28(35-23)37(27(36-24)21-3-1-13-34-26(21)31)19-6-4-17(5-7-19)29(32)11-2-12-29/h1,3-10,13-16,33H,2,11-12,32H2,(H2,31,34)
InChIKeyYPWDGVQYDCQXHK-UHFFFAOYSA-N
XLogP5.69
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine 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 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 58345206) is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3cc(F)cc4[nH]ccc34)nc2n1-c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is YPWDGVQYDCQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7/c30-18-15-22(20-10-14-33-25(20)16-18)23-8-9-24-28(35-23)37(27(36-24)21-3-1-13-34-26(21)31)19-6-4-17(5-7-19)29(32)11-2-12-29/h1,3-10,13-16,33H,2,11-12,32H2,(H2,31,34).
What are the key properties of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 489.56 g/mol, XLogP of 5.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(6-fluoro-1H-indol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 58345206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).