N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

C20H22ClN7O2 — CID 172590009

IUPACN-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(Cl)c(-c3cnn(-c4ccc(=O)[nH]c4)c3)n2)CC1
InChIInChI=1S/C20H22ClN7O2/c1-12(29)25-14-2-4-15(5-3-14)26-20-23-10-17(21)19(27-20)13-8-24-28(11-13)16-6-7-18(30)22-9-16/h6-11,14-15H,2-5H2,1H3,(H,22,30)(H,25,29)(H,23,26,27)
InChIKeyZYDFYXFKMGRLIQ-UHFFFAOYSA-N
MW427.90 g/mol
LogP2.53
Rot. Bonds5

About N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172590009) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172590009
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC NameN-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(Cl)c(-c3cnn(-c4ccc(=O)[nH]c4)c3)n2)CC1
InChIInChI=1S/C20H22ClN7O2/c1-12(29)25-14-2-4-15(5-3-14)26-20-23-10-17(21)19(27-20)13-8-24-28(11-13)16-6-7-18(30)22-9-16/h6-11,14-15H,2-5H2,1H3,(H,22,30)(H,25,29)(H,23,26,27)
InChIKeyZYDFYXFKMGRLIQ-UHFFFAOYSA-N
XLogP2.53
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide
CID 172590135
N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172590903
tert-butyl 4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 177052188
2-bromo-N-[4-[[5-chloro-4-[3-(4-fluorophenyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172591552
N-[4-[[2-(3,5-dichloroanilino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 142748470
1-[3-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]phenyl]pyridin-2-one
CID 172591905
7-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 164804616
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
cis-methyl (1S,3R)-3-[[5-chloro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 172590226
5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
CID 172591042
2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol
CID 156817339
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172590009) is N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(Cl)c(-c3cnn(-c4ccc(=O)[nH]c4)c3)n2)CC1.
What is the InChIKey of N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is ZYDFYXFKMGRLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-12(29)25-14-2-4-15(5-3-14)26-20-23-10-17(21)19(27-20)13-8-24-28(11-13)16-6-7-18(30)22-9-16/h6-11,14-15H,2-5H2,1H3,(H,22,30)(H,25,29)(H,23,26,27).
What are the key properties of N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 427.90 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172590009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).