6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C31H26ClF3N6O — CID 24772843

IUPAC6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N2CCCC2)nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12)c1ccccn1
InChIInChI=1S/C31H26ClF3N6O/c1-19(25-10-4-5-15-36-25)38-30(42)26-28-37-18-23(22-8-2-3-9-24(22)32)27(20-11-13-21(14-12-20)31(33,34)35)41(28)39-29(26)40-16-6-7-17-40/h2-5,8-15,18-19H,6-7,16-17H2,1H3,(H,38,42)
InChIKeyWFKIHRNPIIGUOS-UHFFFAOYSA-N
MW591.04 g/mol
LogP7.22
Rot. Bonds6

About 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24772843) has the molecular formula C31H26ClF3N6O and a molecular weight of 591.04 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24772843
Molecular FormulaC31H26ClF3N6O
Molecular Weight591.04 g/mol
Exact Mass590.18
IUPAC Name6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N2CCCC2)nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12)c1ccccn1
InChIInChI=1S/C31H26ClF3N6O/c1-19(25-10-4-5-15-36-25)38-30(42)26-28-37-18-23(22-8-2-3-9-24(22)32)27(20-11-13-21(14-12-20)31(33,34)35)41(28)39-29(26)40-16-6-7-17-40/h2-5,8-15,18-19H,6-7,16-17H2,1H3,(H,38,42)
InChIKeyWFKIHRNPIIGUOS-UHFFFAOYSA-N
XLogP7.22
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.04
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24772843) is 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N2CCCC2)nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12)c1ccccn1.
What is the InChIKey of 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WFKIHRNPIIGUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClF3N6O/c1-19(25-10-4-5-15-36-25)38-30(42)26-28-37-18-23(22-8-2-3-9-24(22)32)27(20-11-13-21(14-12-20)31(33,34)35)41(28)39-29(26)40-16-6-7-17-40/h2-5,8-15,18-19H,6-7,16-17H2,1H3,(H,38,42).
What are the key properties of 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 591.04 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24772843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).