4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine

C29H25ClF2N6O — CID 24738304

IUPAC4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC(Oc3ccc(-n4c(-c5ccc(F)c(F)c5)nc5cc(Cl)cnc54)cc3)CC2)ccn1
InChIInChI=1S/C29H25ClF2N6O/c30-20-15-26-29(35-16-20)38(28(36-26)19-1-6-24(31)25(32)14-19)21-2-4-22(5-3-21)39-23-8-11-37(12-9-23)17-18-7-10-34-27(33)13-18/h1-7,10,13-16,23H,8-9,11-12,17H2,(H2,33,34)
InChIKeyXJKZVZBKVGYAGQ-UHFFFAOYSA-N
MW547.01 g/mol
LogP6.04
Rot. Bonds6

About 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine

4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 24738304) has the molecular formula C29H25ClF2N6O and a molecular weight of 547.01 g/mol. Its IUPAC name is 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID24738304
Molecular FormulaC29H25ClF2N6O
Molecular Weight547.01 g/mol
Exact Mass546.17
IUPAC Name4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CCC(Oc3ccc(-n4c(-c5ccc(F)c(F)c5)nc5cc(Cl)cnc54)cc3)CC2)ccn1
InChIInChI=1S/C29H25ClF2N6O/c30-20-15-26-29(35-16-20)38(28(36-26)19-1-6-24(31)25(32)14-19)21-2-4-22(5-3-21)39-23-8-11-37(12-9-23)17-18-7-10-34-27(33)13-18/h1-7,10,13-16,23H,8-9,11-12,17H2,(H2,33,34)
InChIKeyXJKZVZBKVGYAGQ-UHFFFAOYSA-N
XLogP6.04
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.01
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]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 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine (CID 24738304) is 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CCC(Oc3ccc(-n4c(-c5ccc(F)c(F)c5)nc5cc(Cl)cnc54)cc3)CC2)ccn1.
What is the InChIKey of 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is XJKZVZBKVGYAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF2N6O/c30-20-15-26-29(35-16-20)38(28(36-26)19-1-6-24(31)25(32)14-19)21-2-4-22(5-3-21)39-23-8-11-37(12-9-23)17-18-7-10-34-27(33)13-18/h1-7,10,13-16,23H,8-9,11-12,17H2,(H2,33,34).
What are the key properties of 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?
4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 547.01 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[6-chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 24738304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).