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

C17H14FN5O3 — CID 25055581

IUPAC3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C17H14FN5O3/c1-9-4-13(22-16-11(18)7-20-23(9)16)17(25)19-6-10-2-3-14-12(5-10)21-15(24)8-26-14/h2-5,7H,6,8H2,1H3,(H,19,25)(H,21,24)
InChIKeyMPENIQLZRXLQFW-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.44
Rot. Bonds3

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

3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 25055581) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID25055581
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C17H14FN5O3/c1-9-4-13(22-16-11(18)7-20-23(9)16)17(25)19-6-10-2-3-14-12(5-10)21-15(24)8-26-14/h2-5,7H,6,8H2,1H3,(H,19,25)(H,21,24)
InChIKeyMPENIQLZRXLQFW-UHFFFAOYSA-N
XLogP1.44
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 25055581) is 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2c(F)cnn12.
What is the InChIKey of 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is MPENIQLZRXLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-9-4-13(22-16-11(18)7-20-23(9)16)17(25)19-6-10-2-3-14-12(5-10)21-15(24)8-26-14/h2-5,7H,6,8H2,1H3,(H,19,25)(H,21,24).
What are the key properties of 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 355.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 25055581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).