5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C22H25ClF2N6 — CID 90412637

IUPAC5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESFC1(F)CN[C@H](CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)C1
InChIInChI=1S/C22H25ClF2N6/c23-17-1-2-19(28-11-14-10-22(24,25)12-29-14)31-20(17)15-5-8-27-21-16(15)9-18(30-21)13-3-6-26-7-4-13/h1-2,5,8-9,13-14,26,29H,3-4,6-7,10-12H2,(H,27,30)(H,28,31)/t14-/m0/s1
InChIKeyHBEOMZCCUDXGFY-AWEZNQCLSA-N
MW446.93 g/mol
LogP4.15
Rot. Bonds5

About 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 90412637) has the molecular formula C22H25ClF2N6 and a molecular weight of 446.93 g/mol. Its IUPAC name is 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID90412637
Molecular FormulaC22H25ClF2N6
Molecular Weight446.93 g/mol
Exact Mass446.18
IUPAC Name5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESFC1(F)CN[C@H](CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)C1
InChIInChI=1S/C22H25ClF2N6/c23-17-1-2-19(28-11-14-10-22(24,25)12-29-14)31-20(17)15-5-8-27-21-16(15)9-18(30-21)13-3-6-26-7-4-13/h1-2,5,8-9,13-14,26,29H,3-4,6-7,10-12H2,(H,27,30)(H,28,31)/t14-/m0/s1
InChIKeyHBEOMZCCUDXGFY-AWEZNQCLSA-N
XLogP4.15
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-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 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 90412637) is 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is FC1(F)CN[C@H](CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)C1.
What is the InChIKey of 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is HBEOMZCCUDXGFY-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H25ClF2N6/c23-17-1-2-19(28-11-14-10-22(24,25)12-29-14)31-20(17)15-5-8-27-21-16(15)9-18(30-21)13-3-6-26-7-4-13/h1-2,5,8-9,13-14,26,29H,3-4,6-7,10-12H2,(H,27,30)(H,28,31)/t14-/m0/s1.
What are the key properties of 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 446.93 g/mol, XLogP of 4.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 90412637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).