4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile

C24H26N8O2 — CID 178013074

IUPAC4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
SMILESCc1nn(C2CCNCC2)cc1-c1nc(Nc2ccc(N3CCOCC3=O)cc2)ncc1C#N
InChIInChI=1S/C24H26N8O2/c1-16-21(14-32(30-16)20-6-8-26-9-7-20)23-17(12-25)13-27-24(29-23)28-18-2-4-19(5-3-18)31-10-11-34-15-22(31)33/h2-5,13-14,20,26H,6-11,15H2,1H3,(H,27,28,29)
InChIKeyZEUJSMOKARGQDO-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.55
Rot. Bonds5

About 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile

4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile (PubChem CID 178013074) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
PubChem CID178013074
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
SMILESCc1nn(C2CCNCC2)cc1-c1nc(Nc2ccc(N3CCOCC3=O)cc2)ncc1C#N
InChIInChI=1S/C24H26N8O2/c1-16-21(14-32(30-16)20-6-8-26-9-7-20)23-17(12-25)13-27-24(29-23)28-18-2-4-19(5-3-18)31-10-11-34-15-22(31)33/h2-5,13-14,20,26H,6-11,15H2,1H3,(H,27,28,29)
InChIKeyZEUJSMOKARGQDO-UHFFFAOYSA-N
XLogP2.55
TPSA120.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
CID 178013023
4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one
CID 178013183
4-[4-[[5-chloro-4-(3-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-fluorophenyl]morpholin-3-one
CID 178013180
4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one
CID 178013140
4-[5-chloro-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 170790883
3-chloro-4-[4-[2-[4-(3-oxomorpholin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]imidazol-1-yl]benzonitrile
CID 178013097
2-(4-morpholin-4-ylanilino)-4-pyridin-3-ylpyrimidine-5-carbonitrile
CID 18517025
2-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]-4-[3-(3-oxo-1,4-oxazepan-4-yl)propylamino]pyrimidine-5-carbonitrile
CID 155270190
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-4-[3-(3-oxo-1,4-oxazepan-4-yl)propylamino]pyrimidine-5-carbonitrile
CID 155270486
3-chloro-4-[4-[5-chloro-2-[4-[(4S)-4-morpholin-4-yl-2-oxopiperidin-1-yl]anilino]pyrimidin-4-yl]pyrazol-1-yl]benzonitrile
CID 178013160
1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
CID 69238133
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile (CID 178013074) is 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile is Cc1nn(C2CCNCC2)cc1-c1nc(Nc2ccc(N3CCOCC3=O)cc2)ncc1C#N.
What is the InChIKey of 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
The InChIKey is ZEUJSMOKARGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-16-21(14-32(30-16)20-6-8-26-9-7-20)23-17(12-25)13-27-24(29-23)28-18-2-4-19(5-3-18)31-10-11-34-15-22(31)33/h2-5,13-14,20,26H,6-11,15H2,1H3,(H,27,28,29).
What are the key properties of 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile has a molecular weight of 458.53 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 178013074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).