7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H19ClF2N4O2 — CID 1045909

IUPAC7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C19H19ClF2N4O2/c20-19(21,22)16-10-13(15-8-5-9-28-15)24-17-11-14(25-26(16)17)18(27)23-12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7H2,(H,23,27)
InChIKeyHDRGISXBHLKXRU-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.73
Rot. Bonds4

About 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1045909) has the molecular formula C19H19ClF2N4O2 and a molecular weight of 408.84 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1045909
Molecular FormulaC19H19ClF2N4O2
Molecular Weight408.84 g/mol
Exact Mass408.12
IUPAC Name7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C19H19ClF2N4O2/c20-19(21,22)16-10-13(15-8-5-9-28-15)24-17-11-14(25-26(16)17)18(27)23-12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7H2,(H,23,27)
InChIKeyHDRGISXBHLKXRU-UHFFFAOYSA-N
XLogP4.73
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1045909) is 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HDRGISXBHLKXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O2/c20-19(21,22)16-10-13(15-8-5-9-28-15)24-17-11-14(25-26(16)17)18(27)23-12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7H2,(H,23,27).
What are the key properties of 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 408.84 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1045909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).