N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19F3N4O3 — CID 126763775

IUPACN-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(OC(F)F)c(F)c4)CCOCC3)cnn2c1
InChIInChI=1S/C20H19F3N4O3/c1-12-9-24-17-14(10-25-27(17)11-12)18(28)26-20(4-6-29-7-5-20)13-2-3-16(15(21)8-13)30-19(22)23/h2-3,8-11,19H,4-7H2,1H3,(H,26,28)
InChIKeyZEZWTDWZFQUACQ-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.21
Rot. Bonds5

About N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763775) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763775
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(OC(F)F)c(F)c4)CCOCC3)cnn2c1
InChIInChI=1S/C20H19F3N4O3/c1-12-9-24-17-14(10-25-27(17)11-12)18(28)26-20(4-6-29-7-5-20)13-2-3-16(15(21)8-13)30-19(22)23/h2-3,8-11,19H,4-7H2,1H3,(H,26,28)
InChIKeyZEZWTDWZFQUACQ-UHFFFAOYSA-N
XLogP3.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763775) is N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ccc(OC(F)F)c(F)c4)CCOCC3)cnn2c1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZEZWTDWZFQUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-12-9-24-17-14(10-25-27(17)11-12)18(28)26-20(4-6-29-7-5-20)13-2-3-16(15(21)8-13)30-19(22)23/h2-3,8-11,19H,4-7H2,1H3,(H,26,28).
What are the key properties of N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).