2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile

C22H25N5O — CID 53311144

IUPAC2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile
SMILESCC1(C)C(=O)N(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C22H25N5O/c1-22(2)20-19(18(9-10-25-20)26-11-5-8-17(24)14-26)27(21(22)28)13-16-7-4-3-6-15(16)12-23/h3-4,6-7,9-10,17H,5,8,11,13-14,24H2,1-2H3/t17-/m1/s1
InChIKeyDVYLRKDZWSHBKD-QGZVFWFLSA-N
MW375.48 g/mol
LogP2.71
Rot. Bonds3

About 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile

2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile (PubChem CID 53311144) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile
PubChem CID53311144
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile
SMILESCC1(C)C(=O)N(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C22H25N5O/c1-22(2)20-19(18(9-10-25-20)26-11-5-8-17(24)14-26)27(21(22)28)13-16-7-4-3-6-15(16)12-23/h3-4,6-7,9-10,17H,5,8,11,13-14,24H2,1-2H3/t17-/m1/s1
InChIKeyDVYLRKDZWSHBKD-QGZVFWFLSA-N
XLogP2.71
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile (CID 53311144) is 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile is CC1(C)C(=O)N(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21.
What is the InChIKey of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile?
The InChIKey is DVYLRKDZWSHBKD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2)20-19(18(9-10-25-20)26-11-5-8-17(24)14-26)27(21(22)28)13-16-7-4-3-6-15(16)12-23/h3-4,6-7,9-10,17H,5,8,11,13-14,24H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile?
2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile has a molecular weight of 375.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 53311144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).