(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine

C19H21ClN4 — CID 24828717

IUPAC(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine
SMILESNC(c1ccc(Cl)cc1)C1CCN(c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C19H21ClN4/c20-15-3-1-13(2-4-15)18(21)14-7-11-24(12-8-14)17-6-10-23-19-16(17)5-9-22-19/h1-6,9-10,14,18H,7-8,11-12,21H2,(H,22,23)
InChIKeyPRPNDHHOYWARPB-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.13
Rot. Bonds3

About (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine

(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine (PubChem CID 24828717) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine
PubChem CID24828717
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine
SMILESNC(c1ccc(Cl)cc1)C1CCN(c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C19H21ClN4/c20-15-3-1-13(2-4-15)18(21)14-7-11-24(12-8-14)17-6-10-23-19-16(17)5-9-22-19/h1-6,9-10,14,18H,7-8,11-12,21H2,(H,22,23)
InChIKeyPRPNDHHOYWARPB-UHFFFAOYSA-N
XLogP4.13
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine 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-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine (CID 24828717) is (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine is NC(c1ccc(Cl)cc1)C1CCN(c2ccnc3[nH]ccc23)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is PRPNDHHOYWARPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-15-3-1-13(2-4-15)18(21)14-7-11-24(12-8-14)17-6-10-23-19-16(17)5-9-22-19/h1-6,9-10,14,18H,7-8,11-12,21H2,(H,22,23).
What are the key properties of (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine?
(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 340.86 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 24828717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).