4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C19H18N4 — CID 165156524

IUPAC4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(N3CCCC(c4ccccc4)C3)c12
InChIInChI=1S/C19H18N4/c20-11-16-12-22-19-18(16)17(8-9-21-19)23-10-4-7-15(13-23)14-5-2-1-3-6-14/h1-3,5-6,8-9,12,15H,4,7,10,13H2,(H,21,22)
InChIKeyMCFSCRWDEDSWMA-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.82
Rot. Bonds2

About 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 165156524) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID165156524
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(N3CCCC(c4ccccc4)C3)c12
InChIInChI=1S/C19H18N4/c20-11-16-12-22-19-18(16)17(8-9-21-19)23-10-4-7-15(13-23)14-5-2-1-3-6-14/h1-3,5-6,8-9,12,15H,4,7,10,13H2,(H,21,22)
InChIKeyMCFSCRWDEDSWMA-UHFFFAOYSA-N
XLogP3.82
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 165156524) is 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1c[nH]c2nccc(N3CCCC(c4ccccc4)C3)c12.
What is the InChIKey of 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is MCFSCRWDEDSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c20-11-16-12-22-19-18(16)17(8-9-21-19)23-10-4-7-15(13-23)14-5-2-1-3-6-14/h1-3,5-6,8-9,12,15H,4,7,10,13H2,(H,21,22).
What are the key properties of 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 165156524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).