1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine

C25H35ClN6 — CID 150767319

IUPAC1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2c(Cl)cnc3[nH]cc(N4C=C([C@H]5CCCN5C)C=CC4)c23)C1
InChIInChI=1S/C25H35ClN6/c1-17(2)29-19-8-5-12-32(16-19)24-20(26)13-27-25-23(24)22(14-28-25)31-11-4-7-18(15-31)21-9-6-10-30(21)3/h4,7,13-15,17,19,21,29H,5-6,8-12,16H2,1-3H3,(H,27,28)/t19?,21-/m1/s1
InChIKeyJZCNEEJNYNERTR-VGAJERRHSA-N
MW455.05 g/mol
LogP4.54
Rot. Bonds5

About 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine

1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine (PubChem CID 150767319) has the molecular formula C25H35ClN6 and a molecular weight of 455.05 g/mol. Its IUPAC name is 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine
PubChem CID150767319
Molecular FormulaC25H35ClN6
Molecular Weight455.05 g/mol
Exact Mass454.26
IUPAC Name1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2c(Cl)cnc3[nH]cc(N4C=C([C@H]5CCCN5C)C=CC4)c23)C1
InChIInChI=1S/C25H35ClN6/c1-17(2)29-19-8-5-12-32(16-19)24-20(26)13-27-25-23(24)22(14-28-25)31-11-4-7-18(15-31)21-9-6-10-30(21)3/h4,7,13-15,17,19,21,29H,5-6,8-12,16H2,1-3H3,(H,27,28)/t19?,21-/m1/s1
InChIKeyJZCNEEJNYNERTR-VGAJERRHSA-N
XLogP4.54
TPSA50.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.05
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-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 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine (CID 150767319) is 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine is CC(C)NC1CCCN(c2c(Cl)cnc3[nH]cc(N4C=C([C@H]5CCCN5C)C=CC4)c23)C1.
What is the InChIKey of 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine?
The InChIKey is JZCNEEJNYNERTR-VGAJERRHSA-N. The full InChI is InChI=1S/C25H35ClN6/c1-17(2)29-19-8-5-12-32(16-19)24-20(26)13-27-25-23(24)22(14-28-25)31-11-4-7-18(15-31)21-9-6-10-30(21)3/h4,7,13-15,17,19,21,29H,5-6,8-12,16H2,1-3H3,(H,27,28)/t19?,21-/m1/s1.
What are the key properties of 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine?
1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine has a molecular weight of 455.05 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 150767319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).