4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile

C22H25N7O2 — CID 171904336

IUPAC4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
SMILESCOc1ccc(NC2C[C@H](C)N(c3nc(=O)n(C)c4ccc(C#N)nc34)C[C@H]2C)nc1
InChIInChI=1S/C22H25N7O2/c1-13-12-29(14(2)9-17(13)26-19-8-6-16(31-4)11-24-19)21-20-18(28(3)22(30)27-21)7-5-15(10-23)25-20/h5-8,11,13-14,17H,9,12H2,1-4H3,(H,24,26)/t13-,14+,17?/m1/s1
InChIKeyUFGLAWYNVKOXQX-LICQEQMYSA-N
MW419.49 g/mol
LogP2.32
Rot. Bonds4

About 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile

4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile (PubChem CID 171904336) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
PubChem CID171904336
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
SMILESCOc1ccc(NC2C[C@H](C)N(c3nc(=O)n(C)c4ccc(C#N)nc34)C[C@H]2C)nc1
InChIInChI=1S/C22H25N7O2/c1-13-12-29(14(2)9-17(13)26-19-8-6-16(31-4)11-24-19)21-20-18(28(3)22(30)27-21)7-5-15(10-23)25-20/h5-8,11,13-14,17H,9,12H2,1-4H3,(H,24,26)/t13-,14+,17?/m1/s1
InChIKeyUFGLAWYNVKOXQX-LICQEQMYSA-N
XLogP2.32
TPSA108.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile 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 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile (CID 171904336) is 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile is COc1ccc(NC2C[C@H](C)N(c3nc(=O)n(C)c4ccc(C#N)nc34)C[C@H]2C)nc1.
What is the InChIKey of 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The InChIKey is UFGLAWYNVKOXQX-LICQEQMYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-13-12-29(14(2)9-17(13)26-19-8-6-16(31-4)11-24-19)21-20-18(28(3)22(30)27-21)7-5-15(10-23)25-20/h5-8,11,13-14,17H,9,12H2,1-4H3,(H,24,26)/t13-,14+,17?/m1/s1.
What are the key properties of 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile has a molecular weight of 419.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 171904336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).