N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H15FN6O2 — CID 59509139

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)c2cnn3cc(C)cnc23)ncn1
InChIInChI=1S/C19H15FN6O2/c1-11-7-21-18-14(8-24-26(18)9-11)19(27)25-17-6-15(22-10-23-17)13-5-12(20)3-4-16(13)28-2/h3-10H,1-2H3,(H,22,23,25,27)
InChIKeyVKMWJBHHTQFHRT-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.89
Rot. Bonds4

About N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 59509139) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID59509139
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)c2cnn3cc(C)cnc23)ncn1
InChIInChI=1S/C19H15FN6O2/c1-11-7-21-18-14(8-24-26(18)9-11)19(27)25-17-6-15(22-10-23-17)13-5-12(20)3-4-16(13)28-2/h3-10H,1-2H3,(H,22,23,25,27)
InChIKeyVKMWJBHHTQFHRT-UHFFFAOYSA-N
XLogP2.89
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
CID 59508979
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 59509071
cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509076
ethane;N-(6-methoxy-2-methylindazol-5-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537279
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 59509088
N-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138008172
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
CID 59509109
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53104131
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 78878950

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 59509139) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(F)cc1-c1cc(NC(=O)c2cnn3cc(C)cnc23)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VKMWJBHHTQFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-11-7-21-18-14(8-24-26(18)9-11)19(27)25-17-6-15(22-10-23-17)13-5-12(20)3-4-16(13)28-2/h3-10H,1-2H3,(H,22,23,25,27).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 59509139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).