4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide

C18H23ClN6O — CID 172592466

IUPAC4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2ncc(Cl)c(-c3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C18H23ClN6O/c1-20-17(26)11-4-6-12(7-5-11)22-18-21-9-13(19)16(23-18)15-8-14(24-25-15)10-2-3-10/h8-12H,2-7H2,1H3,(H,20,26)(H,24,25)(H,21,22,23)
InChIKeyAIKZUTURAQVIJQ-UHFFFAOYSA-N
MW374.88 g/mol
LogP3.11
Rot. Bonds5

About 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide

4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 172592466) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID172592466
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2ncc(Cl)c(-c3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C18H23ClN6O/c1-20-17(26)11-4-6-12(7-5-11)22-18-21-9-13(19)16(23-18)15-8-14(24-25-15)10-2-3-10/h8-12H,2-7H2,1H3,(H,20,26)(H,24,25)(H,21,22,23)
InChIKeyAIKZUTURAQVIJQ-UHFFFAOYSA-N
XLogP3.11
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
1-[5-[[5-chloro-2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 118390098
1-[9-[[5-chloro-2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-3-azaspiro[5.5]undecan-3-yl]propan-1-one
CID 118411031
N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 87987131
N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172590903
2-bromo-N-[4-[[5-chloro-4-[3-(4-fluorophenyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172591552
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
CID 126724613
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539
tert-butyl 4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 177052188
2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol
CID 156817339

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide (CID 172592466) is 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(Nc2ncc(Cl)c(-c3cc(C4CC4)[nH]n3)n2)CC1.
What is the InChIKey of 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is AIKZUTURAQVIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-20-17(26)11-4-6-12(7-5-11)22-18-21-9-13(19)16(23-18)15-8-14(24-25-15)10-2-3-10/h8-12H,2-7H2,1H3,(H,20,26)(H,24,25)(H,21,22,23).
What are the key properties of 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 374.88 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 172592466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).