4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

C18H15ClF2N4O3 — CID 155349555

IUPAC4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(Cl)cnc23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C18H15ClF2N4O3/c1-27-13-4-9(12-7-23-25-8-10(19)6-22-16(12)25)5-14(28-18(20)21)15(13)17(26)24-11-2-3-11/h4-8,11,18H,2-3H2,1H3,(H,24,26)
InChIKeyIRKXLYBHFQAPOI-UHFFFAOYSA-N
MW408.79 g/mol
LogP3.55
Rot. Bonds6

About 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 155349555) has the molecular formula C18H15ClF2N4O3 and a molecular weight of 408.79 g/mol. Its IUPAC name is 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

Compound Name4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
PubChem CID155349555
Molecular FormulaC18H15ClF2N4O3
Molecular Weight408.79 g/mol
Exact Mass408.08
IUPAC Name4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(Cl)cnc23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C18H15ClF2N4O3/c1-27-13-4-9(12-7-23-25-8-10(19)6-22-16(12)25)5-14(28-18(20)21)15(13)17(26)24-11-2-3-11/h4-8,11,18H,2-3H2,1H3,(H,24,26)
InChIKeyIRKXLYBHFQAPOI-UHFFFAOYSA-N
XLogP3.55
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The IUPAC name of 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (CID 155349555) is 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.
What is the SMILES notation for 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The canonical SMILES for 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2cnn3cc(Cl)cnc23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The InChIKey is IRKXLYBHFQAPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O3/c1-27-13-4-9(12-7-23-25-8-10(19)6-22-16(12)25)5-14(28-18(20)21)15(13)17(26)24-11-2-3-11/h4-8,11,18H,2-3H2,1H3,(H,24,26).
What are the key properties of 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 408.79 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 155349555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).