2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

C22H26ClN3 — CID 134330034

IUPAC2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1c(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccnc1Cl
InChIInChI=1S/C22H26ClN3/c1-13(2)20-18-12-16(15-6-9-24-10-7-15)4-5-19(18)26-21(20)17-8-11-25-22(23)14(17)3/h4-5,8,11-13,15,24,26H,6-7,9-10H2,1-3H3
InChIKeyDFODNGJWWPEXRZ-UHFFFAOYSA-N
MW367.92 g/mol
LogP5.78
Rot. Bonds3

About 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134330034) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134330034
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC Name2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1c(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccnc1Cl
InChIInChI=1S/C22H26ClN3/c1-13(2)20-18-12-16(15-6-9-24-10-7-15)4-5-19(18)26-21(20)17-8-11-25-22(23)14(17)3/h4-5,8,11-13,15,24,26H,6-7,9-10H2,1-3H3
InChIKeyDFODNGJWWPEXRZ-UHFFFAOYSA-N
XLogP5.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134330034) is 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1c(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccnc1Cl.
What is the InChIKey of 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is DFODNGJWWPEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3/c1-13(2)20-18-12-16(15-6-9-24-10-7-15)4-5-19(18)26-21(20)17-8-11-25-22(23)14(17)3/h4-5,8,11-13,15,24,26H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 367.92 g/mol, XLogP of 5.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134330034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).