2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

C18H16F3N5O2 — CID 122630761

IUPAC2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n2c1C(N)=O
InChIInChI=1S/C18H16F3N5O2/c1-9-2-5-14-23-11(6-15(27)26(14)16(9)17(22)28)8-25-13(18(19,20)21)7-12(24-25)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H2,22,28)
InChIKeyUNQWQCFGHZZWPZ-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.24
Rot. Bonds4

About 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 122630761) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID122630761
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n2c1C(N)=O
InChIInChI=1S/C18H16F3N5O2/c1-9-2-5-14-23-11(6-15(27)26(14)16(9)17(22)28)8-25-13(18(19,20)21)7-12(24-25)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H2,22,28)
InChIKeyUNQWQCFGHZZWPZ-UHFFFAOYSA-N
XLogP2.24
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (CID 122630761) is 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is Cc1ccc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n2c1C(N)=O.
What is the InChIKey of 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is UNQWQCFGHZZWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-9-2-5-14-23-11(6-15(27)26(14)16(9)17(22)28)8-25-13(18(19,20)21)7-12(24-25)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H2,22,28).
What are the key properties of 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 122630761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).