4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

C18H18ClN3 — CID 170449646

IUPAC4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(-c2ccnc3[nH]ccc23)ccc1C1CCNCC1
InChIInChI=1S/C18H18ClN3/c19-17-11-13(1-2-15(17)12-3-7-20-8-4-12)14-5-9-21-18-16(14)6-10-22-18/h1-2,5-6,9-12,20H,3-4,7-8H2,(H,21,22)
InChIKeyODQPWEVLXNDLEX-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.35
Rot. Bonds2

About 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170449646) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID170449646
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(-c2ccnc3[nH]ccc23)ccc1C1CCNCC1
InChIInChI=1S/C18H18ClN3/c19-17-11-13(1-2-15(17)12-3-7-20-8-4-12)14-5-9-21-18-16(14)6-10-22-18/h1-2,5-6,9-12,20H,3-4,7-8H2,(H,21,22)
InChIKeyODQPWEVLXNDLEX-UHFFFAOYSA-N
XLogP4.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 170449636
4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-10-azabicyclo[5.2.1]decane
CID 170614297
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide
CID 175807888
N-[(2,6-dichlorophenyl)methyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 24857634
4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 142594418
3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine
CID 166375887
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 11999610
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
8-chloro-5-piperidin-4-ylisoquinoline
CID 130378032

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 170449646) is 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is Clc1cc(-c2ccnc3[nH]ccc23)ccc1C1CCNCC1.
What is the InChIKey of 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ODQPWEVLXNDLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c19-17-11-13(1-2-15(17)12-3-7-20-8-4-12)14-5-9-21-18-16(14)6-10-22-18/h1-2,5-6,9-12,20H,3-4,7-8H2,(H,21,22).
What are the key properties of 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 311.82 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170449646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).