N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H24F2N6O — CID 170948149

IUPACN-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCN1CCN(c2cc3ncc(C(=O)NC4CCC(F)(F)CC4)cn3n2)CC1
InChIInChI=1S/C18H24F2N6O/c1-24-6-8-25(9-7-24)16-10-15-21-11-13(12-26(15)23-16)17(27)22-14-2-4-18(19,20)5-3-14/h10-12,14H,2-9H2,1H3,(H,22,27)
InChIKeyYWAUDDZUVNMKFO-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.79
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 170948149) has the molecular formula C18H24F2N6O and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID170948149
Molecular FormulaC18H24F2N6O
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCN1CCN(c2cc3ncc(C(=O)NC4CCC(F)(F)CC4)cn3n2)CC1
InChIInChI=1S/C18H24F2N6O/c1-24-6-8-25(9-7-24)16-10-15-21-11-13(12-26(15)23-16)17(27)22-14-2-4-18(19,20)5-3-14/h10-12,14H,2-9H2,1H3,(H,22,27)
InChIKeyYWAUDDZUVNMKFO-UHFFFAOYSA-N
XLogP1.79
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
3-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501776
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
N-[1-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 50845882
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171993981
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
3-chloro-4-fluoro-N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide
CID 68978342
N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 170948149) is N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CN1CCN(c2cc3ncc(C(=O)NC4CCC(F)(F)CC4)cn3n2)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YWAUDDZUVNMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N6O/c1-24-6-8-25(9-7-24)16-10-15-21-11-13(12-26(15)23-16)17(27)22-14-2-4-18(19,20)5-3-14/h10-12,14H,2-9H2,1H3,(H,22,27).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 170948149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).