N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23F4N5O — CID 58063469

IUPACN-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(Nc1ccn2ncc(C(=O)NC3CCC(F)(F)CC3)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H23F4N5O/c1-2-18(13-9-14(23)11-15(24)10-13)29-19-5-8-31-20(30-19)17(12-27-31)21(32)28-16-3-6-22(25,26)7-4-16/h5,8-12,16,18H,2-4,6-7H2,1H3,(H,28,32)(H,29,30)
InChIKeySIEYLWCKZBJRBT-UHFFFAOYSA-N
MW449.45 g/mol
LogP4.88
Rot. Bonds6

About N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063469) has the molecular formula C22H23F4N5O and a molecular weight of 449.45 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063469
Molecular FormulaC22H23F4N5O
Molecular Weight449.45 g/mol
Exact Mass449.18
IUPAC NameN-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(Nc1ccn2ncc(C(=O)NC3CCC(F)(F)CC3)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H23F4N5O/c1-2-18(13-9-14(23)11-15(24)10-13)29-19-5-8-31-20(30-19)17(12-27-31)21(32)28-16-3-6-22(25,26)7-4-16/h5,8-12,16,18H,2-4,6-7H2,1H3,(H,28,32)(H,29,30)
InChIKeySIEYLWCKZBJRBT-UHFFFAOYSA-N
XLogP4.88
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063413
N-(4,4-difluorocyclohexyl)-5-[(4-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063436
N-(4,4-difluorocyclohexyl)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162543572
5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063341
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063058
N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063223
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498
5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063445
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063469) is N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(Nc1ccn2ncc(C(=O)NC3CCC(F)(F)CC3)c2n1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SIEYLWCKZBJRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O/c1-2-18(13-9-14(23)11-15(24)10-13)29-19-5-8-31-20(30-19)17(12-27-31)21(32)28-16-3-6-22(25,26)7-4-16/h5,8-12,16,18H,2-4,6-7H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).