1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine

C22H22ClN5 — CID 90421605

IUPAC1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
SMILESCn1nccc1-c1c(C2CCNCC2)c2ccncc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5/c1-27-19(9-13-26-27)22-21(15-6-10-24-11-7-15)18-8-12-25-14-20(18)28(22)17-4-2-16(23)3-5-17/h2-5,8-9,12-15,24H,6-7,10-11H2,1H3
InChIKeyXCKKTYZDRYHVKW-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine

1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine (PubChem CID 90421605) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
PubChem CID90421605
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC Name1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
SMILESCn1nccc1-c1c(C2CCNCC2)c2ccncc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5/c1-27-19(9-13-26-27)22-21(15-6-10-24-11-7-15)18-8-12-25-14-20(18)28(22)17-4-2-16(23)3-5-17/h2-5,8-9,12-15,24H,6-7,10-11H2,1H3
InChIKeyXCKKTYZDRYHVKW-UHFFFAOYSA-N
XLogP4.55
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-phenyl-3-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl)pyridin-2-amine
CID 129237932
4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 86268869
4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 145325591
4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 90421918
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
4-[1-(2-methylpyrazol-3-yl)cyclopropyl]piperidine
CID 83908828
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
CID 145325570
2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
CID 129237786
8-chloro-5-piperidin-4-ylisoquinoline
CID 130378032
1-methyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692955
3-methyl-4-piperidin-4-ylpyridine
CID 64985067

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine (CID 90421605) is 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine is Cn1nccc1-c1c(C2CCNCC2)c2ccncc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
The InChIKey is XCKKTYZDRYHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c1-27-19(9-13-26-27)22-21(15-6-10-24-11-7-15)18-8-12-25-14-20(18)28(22)17-4-2-16(23)3-5-17/h2-5,8-9,12-15,24H,6-7,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine has a molecular weight of 391.91 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90421605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).