4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine

C16H21ClN4 — CID 56895089

IUPAC4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(N2CCC(N3CCCC3)CC2)nc2[nH]ccc12
InChIInChI=1S/C16H21ClN4/c17-14-11-15(19-16-13(14)3-6-18-16)21-9-4-12(5-10-21)20-7-1-2-8-20/h3,6,11-12H,1-2,4-5,7-10H2,(H,18,19)
InChIKeyCEOUHFARTYJYHS-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 56895089) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID56895089
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(N2CCC(N3CCCC3)CC2)nc2[nH]ccc12
InChIInChI=1S/C16H21ClN4/c17-14-11-15(19-16-13(14)3-6-18-16)21-9-4-12(5-10-21)20-7-1-2-8-20/h3,6,11-12H,1-2,4-5,7-10H2,(H,18,19)
InChIKeyCEOUHFARTYJYHS-UHFFFAOYSA-N
XLogP3.28
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine (CID 56895089) is 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine is Clc1cc(N2CCC(N3CCCC3)CC2)nc2[nH]ccc12.
What is the InChIKey of 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CEOUHFARTYJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c17-14-11-15(19-16-13(14)3-6-18-16)21-9-4-12(5-10-21)20-7-1-2-8-20/h3,6,11-12H,1-2,4-5,7-10H2,(H,18,19).
What are the key properties of 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 304.82 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 56895089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).