5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile

C20H23N9O — CID 138454800

IUPAC5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile
SMILESCNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1
InChIInChI=1S/C20H23N9O/c1-22-19-16(13-8-26-29(2)12-13)11-25-20(28-19)27-14-6-18(17(7-21)24-9-14)30-15-4-3-5-23-10-15/h6,8-9,11-12,15,23H,3-5,10H2,1-2H3,(H2,22,25,27,28)/t15-/m1/s1
InChIKeySLCNIAWQMQCAFR-OAHLLOKOSA-N
MW405.47 g/mol
LogP2.06
Rot. Bonds6

About 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile

5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile (PubChem CID 138454800) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile
PubChem CID138454800
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile
SMILESCNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1
InChIInChI=1S/C20H23N9O/c1-22-19-16(13-8-26-29(2)12-13)11-25-20(28-19)27-14-6-18(17(7-21)24-9-14)30-15-4-3-5-23-10-15/h6,8-9,11-12,15,23H,3-5,10H2,1-2H3,(H2,22,25,27,28)/t15-/m1/s1
InChIKeySLCNIAWQMQCAFR-OAHLLOKOSA-N
XLogP2.06
TPSA125.60 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-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 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile (CID 138454800) is 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile is CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1.
What is the InChIKey of 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile?
The InChIKey is SLCNIAWQMQCAFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N9O/c1-22-19-16(13-8-26-29(2)12-13)11-25-20(28-19)27-14-6-18(17(7-21)24-9-14)30-15-4-3-5-23-10-15/h6,8-9,11-12,15,23H,3-5,10H2,1-2H3,(H2,22,25,27,28)/t15-/m1/s1.
What are the key properties of 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile?
5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile has a molecular weight of 405.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138454800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).