2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

C21H23Cl2N3 — CID 134329308

IUPAC2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCC(C)c1c(-c2c(Cl)cncc2Cl)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H23Cl2N3/c1-12(2)19-15-9-14(13-5-7-24-8-6-13)3-4-18(15)26-21(19)20-16(22)10-25-11-17(20)23/h3-4,9-13,24,26H,5-8H2,1-2H3
InChIKeyLNUHSZBKNTVQIS-UHFFFAOYSA-N
MW388.34 g/mol
LogP6.13
Rot. Bonds3

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

2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329308) has the molecular formula C21H23Cl2N3 and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329308
Molecular FormulaC21H23Cl2N3
Molecular Weight388.34 g/mol
Exact Mass387.13
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCC(C)c1c(-c2c(Cl)cncc2Cl)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H23Cl2N3/c1-12(2)19-15-9-14(13-5-7-24-8-6-13)3-4-18(15)26-21(19)20-16(22)10-25-11-17(20)23/h3-4,9-13,24,26H,5-8H2,1-2H3
InChIKeyLNUHSZBKNTVQIS-UHFFFAOYSA-N
XLogP6.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329308) is 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is CC(C)c1c(-c2c(Cl)cncc2Cl)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is LNUHSZBKNTVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3/c1-12(2)19-15-9-14(13-5-7-24-8-6-13)3-4-18(15)26-21(19)20-16(22)10-25-11-17(20)23/h3-4,9-13,24,26H,5-8H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 388.34 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).