4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one

C23H25Cl2N7O2 — CID 178013140

IUPAC4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one
SMILESCc1cc(N2CCOCC2=O)ccc1Nc1ncc(Cl)c(-c2cnn(C3CCNCC3)c2Cl)n1
InChIInChI=1S/C23H25Cl2N7O2/c1-14-10-16(31-8-9-34-13-20(31)33)2-3-19(14)29-23-27-12-18(24)21(30-23)17-11-28-32(22(17)25)15-4-6-26-7-5-15/h2-3,10-12,15,26H,4-9,13H2,1H3,(H,27,29,30)
InChIKeyUMINFRBZAWNRJC-UHFFFAOYSA-N
MW502.41 g/mol
LogP3.99
Rot. Bonds5

About 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one

4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one (PubChem CID 178013140) has the molecular formula C23H25Cl2N7O2 and a molecular weight of 502.41 g/mol. Its IUPAC name is 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one
PubChem CID178013140
Molecular FormulaC23H25Cl2N7O2
Molecular Weight502.41 g/mol
Exact Mass501.14
IUPAC Name4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one
SMILESCc1cc(N2CCOCC2=O)ccc1Nc1ncc(Cl)c(-c2cnn(C3CCNCC3)c2Cl)n1
InChIInChI=1S/C23H25Cl2N7O2/c1-14-10-16(31-8-9-34-13-20(31)33)2-3-19(14)29-23-27-12-18(24)21(30-23)17-11-28-32(22(17)25)15-4-6-26-7-5-15/h2-3,10-12,15,26H,4-9,13H2,1H3,(H,27,29,30)
InChIKeyUMINFRBZAWNRJC-UHFFFAOYSA-N
XLogP3.99
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
CID 178013074
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-chloro-N-(2-methyl-4-piperazin-1-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 123924474
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
4-[5-chloro-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 170790883
(3S,4R)-4-[[5-chloro-4-(7-methyl-6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]oxan-3-ol
CID 171660640
2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756748
4-[4-[4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]-3-oxopiperazin-1-yl]cyclohexane-1-carbaldehyde
CID 166118182
N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175796418
6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
CID 156730670

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one?
The IUPAC name of 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one (CID 178013140) is 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one is Cc1cc(N2CCOCC2=O)ccc1Nc1ncc(Cl)c(-c2cnn(C3CCNCC3)c2Cl)n1.
What is the InChIKey of 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one?
The InChIKey is UMINFRBZAWNRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N7O2/c1-14-10-16(31-8-9-34-13-20(31)33)2-3-19(14)29-23-27-12-18(24)21(30-23)17-11-28-32(22(17)25)15-4-6-26-7-5-15/h2-3,10-12,15,26H,4-9,13H2,1H3,(H,27,29,30).
What are the key properties of 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one?
4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one has a molecular weight of 502.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one is sourced from PubChem (CID 178013140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).