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

C23H26ClN7O2 — CID 178013183

IUPAC4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one
SMILESCc1c(-c2nc(Nc3ccc(N4CCOCC4=O)cc3)ncc2Cl)cnn1C1CCNCC1
InChIInChI=1S/C23H26ClN7O2/c1-15-19(12-27-31(15)18-6-8-25-9-7-18)22-20(24)13-26-23(29-22)28-16-2-4-17(5-3-16)30-10-11-33-14-21(30)32/h2-5,12-13,18,25H,6-11,14H2,1H3,(H,26,28,29)
InChIKeyAEHHVQUDCPINPH-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.33
Rot. Bonds5

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

4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one (PubChem CID 178013183) has the molecular formula C23H26ClN7O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one
PubChem CID178013183
Molecular FormulaC23H26ClN7O2
Molecular Weight467.96 g/mol
Exact Mass467.18
IUPAC Name4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one
SMILESCc1c(-c2nc(Nc3ccc(N4CCOCC4=O)cc3)ncc2Cl)cnn1C1CCNCC1
InChIInChI=1S/C23H26ClN7O2/c1-15-19(12-27-31(15)18-6-8-25-9-7-18)22-20(24)13-26-23(29-22)28-16-2-4-17(5-3-16)30-10-11-33-14-21(30)32/h2-5,12-13,18,25H,6-11,14H2,1H3,(H,26,28,29)
InChIKeyAEHHVQUDCPINPH-UHFFFAOYSA-N
XLogP3.33
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
CID 178013074
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-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
CID 178013023
4-[5-chloro-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 170790883
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
3-chloro-4-[4-[2-[4-(3-oxomorpholin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]imidazol-1-yl]benzonitrile
CID 178013097
3-chloro-4-[3-chloro-4-[5-chloro-2-[4-[(4S)-4-(dimethylamino)-2-oxopiperidin-1-yl]anilino]pyrimidin-4-yl]pyrazol-1-yl]benzonitrile
CID 178013083
(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
3-chloro-4-[4-[5-chloro-2-[4-[(4S)-4-(methylamino)-2-oxopiperidin-1-yl]anilino]pyrimidin-4-yl]pyrazol-1-yl]benzonitrile
CID 178013073
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 24997391

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one (CID 178013183) is 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one is Cc1c(-c2nc(Nc3ccc(N4CCOCC4=O)cc3)ncc2Cl)cnn1C1CCNCC1.
What is the InChIKey of 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one?
The InChIKey is AEHHVQUDCPINPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O2/c1-15-19(12-27-31(15)18-6-8-25-9-7-18)22-20(24)13-26-23(29-22)28-16-2-4-17(5-3-16)30-10-11-33-14-21(30)32/h2-5,12-13,18,25H,6-11,14H2,1H3,(H,26,28,29).
What are the key properties of 4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one?
4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one has a molecular weight of 467.96 g/mol, XLogP of 3.33, 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-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one is sourced from PubChem (CID 178013183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).