N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F2N5O3S — CID 58063059

IUPACN-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2ccc(NS(=O)(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C19H19F2N5O3S/c20-14-7-4-8-15(21)17(14)30(28,29)25-16-9-10-26-18(24-16)13(11-22-26)19(27)23-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,23,27)(H,24,25)
InChIKeyXNDYYKMKLXTUTI-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.87
Rot. Bonds5

About N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063059) has the molecular formula C19H19F2N5O3S and a molecular weight of 435.46 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063059
Molecular FormulaC19H19F2N5O3S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC NameN-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2ccc(NS(=O)(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C19H19F2N5O3S/c20-14-7-4-8-15(21)17(14)30(28,29)25-16-9-10-26-18(24-16)13(11-22-26)19(27)23-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,23,27)(H,24,25)
InChIKeyXNDYYKMKLXTUTI-UHFFFAOYSA-N
XLogP2.87
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
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
5-(2,3-dihydro-1H-inden-2-ylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063497
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498
5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063050
5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063341
5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063170
N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063058
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063059) is N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCCC1)c1cnn2ccc(NS(=O)(=O)c3c(F)cccc3F)nc12.
What is the InChIKey of N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XNDYYKMKLXTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3S/c20-14-7-4-8-15(21)17(14)30(28,29)25-16-9-10-26-18(24-16)13(11-22-26)19(27)23-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,23,27)(H,24,25).
What are the key properties of N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).