N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H16F3N5O3 — CID 138557336

IUPACN-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccnc1NC(=O)c1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c1=O
InChIInChI=1S/C21H16F3N5O3/c1-11-14(19(30)27-17-13(32-2)9-6-10-25-17)20(31)29-18(26-11)15(12-7-4-3-5-8-12)16(28-29)21(22,23)24/h3-10,28H,1-2H3,(H,25,27,30)
InChIKeyJAPCHNZDLZIIRD-UHFFFAOYSA-N
MW443.39 g/mol
LogP3.67
Rot. Bonds4

About N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138557336) has the molecular formula C21H16F3N5O3 and a molecular weight of 443.39 g/mol. Its IUPAC name is N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138557336
Molecular FormulaC21H16F3N5O3
Molecular Weight443.39 g/mol
Exact Mass443.12
IUPAC NameN-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccnc1NC(=O)c1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c1=O
InChIInChI=1S/C21H16F3N5O3/c1-11-14(19(30)27-17-13(32-2)9-6-10-25-17)20(31)29-18(26-11)15(12-7-4-3-5-8-12)16(28-29)21(22,23)24/h3-10,28H,1-2H3,(H,25,27,30)
InChIKeyJAPCHNZDLZIIRD-UHFFFAOYSA-N
XLogP3.67
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138557336) is N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cccnc1NC(=O)c1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c1=O.
What is the InChIKey of N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JAPCHNZDLZIIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3/c1-11-14(19(30)27-17-13(32-2)9-6-10-25-17)20(31)29-18(26-11)15(12-7-4-3-5-8-12)16(28-29)21(22,23)24/h3-10,28H,1-2H3,(H,25,27,30).
What are the key properties of N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 443.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138557336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).