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

C20H23N9O — CID 134508319

IUPAC5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESCNc1nc(Nc2cnc(C#N)c(OC3CCCNC3)c2)ncc1-c1ccnn1C
InChIInChI=1S/C20H23N9O/c1-22-19-15(17-5-7-26-29(17)2)12-25-20(28-19)27-13-8-18(16(9-21)24-10-13)30-14-4-3-6-23-11-14/h5,7-8,10,12,14,23H,3-4,6,11H2,1-2H3,(H2,22,25,27,28)
InChIKeyFAPFURFWEKDCEB-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.06
Rot. Bonds6

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

5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (PubChem CID 134508319) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
PubChem CID134508319
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESCNc1nc(Nc2cnc(C#N)c(OC3CCCNC3)c2)ncc1-c1ccnn1C
InChIInChI=1S/C20H23N9O/c1-22-19-15(17-5-7-26-29(17)2)12-25-20(28-19)27-13-8-18(16(9-21)24-10-13)30-14-4-3-6-23-11-14/h5,7-8,10,12,14,23H,3-4,6,11H2,1-2H3,(H2,22,25,27,28)
InChIKeyFAPFURFWEKDCEB-UHFFFAOYSA-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-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-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

Related Compounds

Cct244747
CID 54758482
2-(2-(6-methylpyridin-3-yloxy)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile
CID 67098566
5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 71452202
5-[[4-(methylamino)-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3S)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 71454007
5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 71459414
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
5-[[4-(Methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
CID 134508144
Chk1-IN-3
CID 138454800
Ly-2880070
CID 56968075
Tyk2-IN-14
CID 138560421
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 25138081
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (CID 134508319) is 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is CNc1nc(Nc2cnc(C#N)c(OC3CCCNC3)c2)ncc1-c1ccnn1C.
What is the InChIKey of 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The InChIKey is FAPFURFWEKDCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-22-19-15(17-5-7-26-29(17)2)12-25-20(28-19)27-13-8-18(16(9-21)24-10-13)30-14-4-3-6-23-11-14/h5,7-8,10,12,14,23H,3-4,6,11H2,1-2H3,(H2,22,25,27,28).
What are the key properties of 5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
5-[[4-(methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-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-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is sourced from PubChem (CID 134508319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).