2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H20F3N7O3S — CID 177236422

IUPAC2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCS(=O)(=O)c1nn2cc(C(=O)NC3(C)CC3)cnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H20F3N7O3S/c1-4-35(33,34)19-15(17-27-12-7-14(21(22,23)24)25-9-13(12)30(17)3)16-26-8-11(10-31(16)29-19)18(32)28-20(2)5-6-20/h7-10H,4-6H2,1-3H3,(H,28,32)
InChIKeyDYRBHHQLNMPSEK-UHFFFAOYSA-N
MW507.50 g/mol
LogP2.77
Rot. Bonds5

About 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 177236422) has the molecular formula C21H20F3N7O3S and a molecular weight of 507.50 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID177236422
Molecular FormulaC21H20F3N7O3S
Molecular Weight507.50 g/mol
Exact Mass507.13
IUPAC Name2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCS(=O)(=O)c1nn2cc(C(=O)NC3(C)CC3)cnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H20F3N7O3S/c1-4-35(33,34)19-15(17-27-12-7-14(21(22,23)24)25-9-13(12)30(17)3)16-26-8-11(10-31(16)29-19)18(32)28-20(2)5-6-20/h7-10H,4-6H2,1-3H3,(H,28,32)
InChIKeyDYRBHHQLNMPSEK-UHFFFAOYSA-N
XLogP2.77
TPSA124.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 177236422) is 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCS(=O)(=O)c1nn2cc(C(=O)NC3(C)CC3)cnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is DYRBHHQLNMPSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O3S/c1-4-35(33,34)19-15(17-27-12-7-14(21(22,23)24)25-9-13(12)30(17)3)16-26-8-11(10-31(16)29-19)18(32)28-20(2)5-6-20/h7-10H,4-6H2,1-3H3,(H,28,32).
What are the key properties of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 507.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 177236422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).