5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole

C25H27ClN4 — CID 67754333

IUPAC5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
SMILESCc1ccccc1-n1cc(CCN2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)cn1
InChIInChI=1S/C25H27ClN4/c1-18-4-2-3-5-25(18)30-17-19(15-28-30)8-11-29-12-9-20(10-13-29)23-16-27-24-7-6-21(26)14-22(23)24/h2-7,14-17,20,27H,8-13H2,1H3
InChIKeyQZVUARBSOFNIQU-UHFFFAOYSA-N
MW418.97 g/mol
LogP5.74
Rot. Bonds5

About 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole

5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole (PubChem CID 67754333) has the molecular formula C25H27ClN4 and a molecular weight of 418.97 g/mol. Its IUPAC name is 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
PubChem CID67754333
Molecular FormulaC25H27ClN4
Molecular Weight418.97 g/mol
Exact Mass418.19
IUPAC Name5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
SMILESCc1ccccc1-n1cc(CCN2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)cn1
InChIInChI=1S/C25H27ClN4/c1-18-4-2-3-5-25(18)30-17-19(15-28-30)8-11-29-12-9-20(10-13-29)23-16-27-24-7-6-21(26)14-22(23)24/h2-7,14-17,20,27H,8-13H2,1H3
InChIKeyQZVUARBSOFNIQU-UHFFFAOYSA-N
XLogP5.74
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 67758842
5-butoxy-3-[1-[2-[1-[4-(2-methylpropyl)phenyl]pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 70100965
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
5-bromo-3-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 67758752
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 113087483
6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
CID 18323647
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
4-[4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]butyl]-3,4-dihydro-2H-1,2-benzoxazine
CID 10159346
N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide
CID 22909497
3-[[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1-benzothiophen-5-amine
CID 23504830
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
CID 67753310

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole (CID 67754333) is 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole is Cc1ccccc1-n1cc(CCN2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)cn1.
What is the InChIKey of 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
The InChIKey is QZVUARBSOFNIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4/c1-18-4-2-3-5-25(18)30-17-19(15-28-30)8-11-29-12-9-20(10-13-29)23-16-27-24-7-6-21(26)14-22(23)24/h2-7,14-17,20,27H,8-13H2,1H3.
What are the key properties of 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole has a molecular weight of 418.97 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-[2-[1-(2-methylphenyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 67754333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).