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

C24H25FN6O4 — CID 59460695

IUPAC7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C24H25FN6O4/c25-16-12-28-31-19(24(34)27-10-14-4-2-1-3-5-14)9-18(30-22(16)31)23(33)26-11-15-6-7-20-17(8-15)29-21(32)13-35-20/h6-9,12,14H,1-5,10-11,13H2,(H,26,33)(H,27,34)(H,29,32)
InChIKeyBEVVMWFQYNALSQ-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.44
Rot. Bonds6

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

7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59460695) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is 7-N-(cyclohexylmethyl)-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-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59460695
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC Name7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C24H25FN6O4/c25-16-12-28-31-19(24(34)27-10-14-4-2-1-3-5-14)9-18(30-22(16)31)23(33)26-11-15-6-7-20-17(8-15)29-21(32)13-35-20/h6-9,12,14H,1-5,10-11,13H2,(H,26,33)(H,27,34)(H,29,32)
InChIKeyBEVVMWFQYNALSQ-UHFFFAOYSA-N
XLogP2.44
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-N-(cyclohexylmethyl)-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-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59460695) is 7-N-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4ncc(F)c4n3)cc2N1.
What is the InChIKey of 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BEVVMWFQYNALSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4/c25-16-12-28-31-19(24(34)27-10-14-4-2-1-3-5-14)9-18(30-22(16)31)23(33)26-11-15-6-7-20-17(8-15)29-21(32)13-35-20/h6-9,12,14H,1-5,10-11,13H2,(H,26,33)(H,27,34)(H,29,32).
What are the key properties of 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-(cyclohexylmethyl)-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 480.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(cyclohexylmethyl)-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 59460695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).