5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile

C21H21N5O — CID 118078587

IUPAC5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile
SMILESCc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(C#N)nc1
InChIInChI=1S/C21H21N5O/c1-15-20(19(27)14-25-10-3-2-4-11-25)21-18(6-5-9-23-21)26(15)17-8-7-16(12-22)24-13-17/h5-9,13H,2-4,10-11,14H2,1H3
InChIKeyPEQUWKKPMBJPLP-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.27
Rot. Bonds4

About 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile

5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile (PubChem CID 118078587) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile
PubChem CID118078587
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile
SMILESCc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(C#N)nc1
InChIInChI=1S/C21H21N5O/c1-15-20(19(27)14-25-10-3-2-4-11-25)21-18(6-5-9-23-21)26(15)17-8-7-16(12-22)24-13-17/h5-9,13H,2-4,10-11,14H2,1H3
InChIKeyPEQUWKKPMBJPLP-UHFFFAOYSA-N
XLogP3.27
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile (CID 118078587) is 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile is Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(C#N)nc1.
What is the InChIKey of 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile?
The InChIKey is PEQUWKKPMBJPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-20(19(27)14-25-10-3-2-4-11-25)21-18(6-5-9-23-21)26(15)17-8-7-16(12-22)24-13-17/h5-9,13H,2-4,10-11,14H2,1H3.
What are the key properties of 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile?
5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118078587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).