5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24FN5O2 — CID 171356498

IUPAC5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CCC(NC(=O)c2cnn3ccc(NCc4cccc(F)c4)nc23)CC1
InChIInChI=1S/C21H24FN5O2/c1-29-17-7-5-16(6-8-17)25-21(28)18-13-24-27-10-9-19(26-20(18)27)23-12-14-3-2-4-15(22)11-14/h2-4,9-11,13,16-17H,5-8,12H2,1H3,(H,23,26)(H,25,28)
InChIKeyAHSFWCDXKANAOR-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.17
Rot. Bonds6

About 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171356498) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171356498
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CCC(NC(=O)c2cnn3ccc(NCc4cccc(F)c4)nc23)CC1
InChIInChI=1S/C21H24FN5O2/c1-29-17-7-5-16(6-8-17)25-21(28)18-13-24-27-10-9-19(26-20(18)27)23-12-14-3-2-4-15(22)11-14/h2-4,9-11,13,16-17H,5-8,12H2,1H3,(H,23,26)(H,25,28)
InChIKeyAHSFWCDXKANAOR-UHFFFAOYSA-N
XLogP3.17
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
methyl 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 58063032
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200
4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 123188164
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
N-(4,4-difluorocyclohexyl)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162543572
N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
N-(4,4-difluorocyclohexyl)-5-[(4-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063436
N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063469
5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063413
N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063059
5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154402511

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171356498) is 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1CCC(NC(=O)c2cnn3ccc(NCc4cccc(F)c4)nc23)CC1.
What is the InChIKey of 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AHSFWCDXKANAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-29-17-7-5-16(6-8-17)25-21(28)18-13-24-27-10-9-19(26-20(18)27)23-12-14-3-2-4-15(22)11-14/h2-4,9-11,13,16-17H,5-8,12H2,1H3,(H,23,26)(H,25,28).
What are the key properties of 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171356498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).