2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

C23H28ClN3 — CID 134330020

IUPAC2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(Cl)c(C)n1
InChIInChI=1S/C23H28ClN3/c1-13(2)21-18-12-17(16-7-9-25-10-8-16)5-6-20(18)27-23(21)19-11-14(3)26-15(4)22(19)24/h5-6,11-13,16,25,27H,7-10H2,1-4H3
InChIKeyUDFZWIAILMTIFE-UHFFFAOYSA-N
MW381.95 g/mol
LogP6.09
Rot. Bonds3

About 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134330020) has the molecular formula C23H28ClN3 and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134330020
Molecular FormulaC23H28ClN3
Molecular Weight381.95 g/mol
Exact Mass381.20
IUPAC Name2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(Cl)c(C)n1
InChIInChI=1S/C23H28ClN3/c1-13(2)21-18-12-17(16-7-9-25-10-8-16)5-6-20(18)27-23(21)19-11-14(3)26-15(4)22(19)24/h5-6,11-13,16,25,27H,7-10H2,1-4H3
InChIKeyUDFZWIAILMTIFE-UHFFFAOYSA-N
XLogP6.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134330020) is 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(Cl)c(C)n1.
What is the InChIKey of 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is UDFZWIAILMTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3/c1-13(2)21-18-12-17(16-7-9-25-10-8-16)5-6-20(18)27-23(21)19-11-14(3)26-15(4)22(19)24/h5-6,11-13,16,25,27H,7-10H2,1-4H3.
What are the key properties of 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 381.95 g/mol, XLogP of 6.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134330020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).