6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one

C24H23N7O2 — CID 150701965

IUPAC6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
SMILESCC(C)n1cnnc1-c1cccc(N2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C24H23N7O2/c1-15(2)30-13-26-28-23(30)19-4-3-5-22(27-19)31-14-33-21-9-8-17(10-18(21)24(31)32)29-11-20(25-12-29)16-6-7-16/h3-5,8-13,15-16H,6-7,14H2,1-2H3
InChIKeyJMBPGYAGCBNHDS-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.98
Rot. Bonds5

About 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one

6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one (PubChem CID 150701965) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
PubChem CID150701965
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
SMILESCC(C)n1cnnc1-c1cccc(N2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C24H23N7O2/c1-15(2)30-13-26-28-23(30)19-4-3-5-22(27-19)31-14-33-21-9-8-17(10-18(21)24(31)32)29-11-20(25-12-29)16-6-7-16/h3-5,8-13,15-16H,6-7,14H2,1-2H3
InChIKeyJMBPGYAGCBNHDS-UHFFFAOYSA-N
XLogP3.98
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 162710738
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one
CID 148977981
5-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 137435676
7-(4-cyclopropylimidazol-1-yl)-4-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-3-one
CID 175372636
7-(4-cyclopropylimidazol-1-yl)-2-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]isoquinolin-1-one
CID 162608829
6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]
CID 175825715
7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one
CID 146431077
1-(3-cyclopropyl-4-fluorophenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435171
1-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-4-carboxylic acid
CID 146559639
N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 134533118
carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 162071353
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one (CID 150701965) is 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one is CC(C)n1cnnc1-c1cccc(N2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one?
The InChIKey is JMBPGYAGCBNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-15(2)30-13-26-28-23(30)19-4-3-5-22(27-19)31-14-33-21-9-8-17(10-18(21)24(31)32)29-11-20(25-12-29)16-6-7-16/h3-5,8-13,15-16H,6-7,14H2,1-2H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one?
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one has a molecular weight of 441.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one is sourced from PubChem (CID 150701965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).