7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C25H19F2N7O5 — CID 70309396

IUPAC7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESNC(=O)c1cc(F)ccc1CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C25H19F2N7O5/c26-14-3-2-13(15(6-14)22(28)36)9-30-25(38)19-7-18(33-23-16(27)10-31-34(19)23)24(37)29-8-12-1-4-20-17(5-12)32-21(35)11-39-20/h1-7,10H,8-9,11H2,(H2,28,36)(H,29,37)(H,30,38)(H,32,35)
InChIKeySZRSAFFHFUEFRL-UHFFFAOYSA-N
MW535.47 g/mol
LogP1.30
Rot. Bonds7

About 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70309396) has the molecular formula C25H19F2N7O5 and a molecular weight of 535.47 g/mol. Its IUPAC name is 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID70309396
Molecular FormulaC25H19F2N7O5
Molecular Weight535.47 g/mol
Exact Mass535.14
IUPAC Name7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESNC(=O)c1cc(F)ccc1CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C25H19F2N7O5/c26-14-3-2-13(15(6-14)22(28)36)9-30-25(38)19-7-18(33-23-16(27)10-31-34(19)23)24(37)29-8-12-1-4-20-17(5-12)32-21(35)11-39-20/h1-7,10H,8-9,11H2,(H2,28,36)(H,29,37)(H,30,38)(H,32,35)
InChIKeySZRSAFFHFUEFRL-UHFFFAOYSA-N
XLogP1.30
TPSA169.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.47
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

(1S)-4-methyl-1-[[5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 12000718
5-(furan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020671
N-(3-(3-(5-((4-ethylpiperazin-1-yl)methyl)furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880229
US9555022, Example 02.41
CID 54770804
US9555022, Example 04.32
CID 70650870
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-(4-morpholinylcarbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259789
7-(2-Fluoro-4-methoxyphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 155550453
7-(2-Fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 155555318
N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridin-3-yl}-3-(2,6-difluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 118644461
N-(2-methoxy-5-methylphenyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16309345
N-(2-methoxyphenyl)-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802769
7-fluoro-3-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4H-1,4-benzoxazine-6-carboxamide
CID 156093932

Frequently Asked Questions

What is the IUPAC name of 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70309396) is 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is NC(=O)c1cc(F)ccc1CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.
What is the InChIKey of 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is SZRSAFFHFUEFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N7O5/c26-14-3-2-13(15(6-14)22(28)36)9-30-25(38)19-7-18(33-23-16(27)10-31-34(19)23)24(37)29-8-12-1-4-20-17(5-12)32-21(35)11-39-20/h1-7,10H,8-9,11H2,(H2,28,36)(H,29,37)(H,30,38)(H,32,35).
What are the key properties of 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 535.47 g/mol, XLogP of 1.30, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(2-carbamoyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 70309396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).