7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one

C30H34FN5O2 — CID 176622086

IUPAC7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one
SMILESCc1c(F)c(C(C)NC2(C)CCC2)cc2c(=O)c(-c3cncc(C4(c5nncn5C)CC(C)C4)c3)coc12
InChIInChI=1S/C30H34FN5O2/c1-17-11-30(12-17,28-35-33-16-36(28)5)21-9-20(13-32-14-21)24-15-38-27-18(2)25(31)22(10-23(27)26(24)37)19(3)34-29(4)7-6-8-29/h9-10,13-17,19,34H,6-8,11-12H2,1-5H3
InChIKeyVRSFBIVYPZLHNM-UHFFFAOYSA-N
MW515.63 g/mol
LogP5.74
Rot. Bonds6

About 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one

7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one (PubChem CID 176622086) has the molecular formula C30H34FN5O2 and a molecular weight of 515.63 g/mol. Its IUPAC name is 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one.

Molecular Properties

Compound Name7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one
PubChem CID176622086
Molecular FormulaC30H34FN5O2
Molecular Weight515.63 g/mol
Exact Mass515.27
IUPAC Name7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one
SMILESCc1c(F)c(C(C)NC2(C)CCC2)cc2c(=O)c(-c3cncc(C4(c5nncn5C)CC(C)C4)c3)coc12
InChIInChI=1S/C30H34FN5O2/c1-17-11-30(12-17,28-35-33-16-36(28)5)21-9-20(13-32-14-21)24-15-38-27-18(2)25(31)22(10-23(27)26(24)37)19(3)34-29(4)7-6-8-29/h9-10,13-17,19,34H,6-8,11-12H2,1-5H3
InChIKeyVRSFBIVYPZLHNM-UHFFFAOYSA-N
XLogP5.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.63
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one?
The IUPAC name of 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one (CID 176622086) is 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one.
What is the SMILES notation for 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one?
The canonical SMILES for 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one is Cc1c(F)c(C(C)NC2(C)CCC2)cc2c(=O)c(-c3cncc(C4(c5nncn5C)CC(C)C4)c3)coc12.
What is the InChIKey of 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one?
The InChIKey is VRSFBIVYPZLHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O2/c1-17-11-30(12-17,28-35-33-16-36(28)5)21-9-20(13-32-14-21)24-15-38-27-18(2)25(31)22(10-23(27)26(24)37)19(3)34-29(4)7-6-8-29/h9-10,13-17,19,34H,6-8,11-12H2,1-5H3.
What are the key properties of 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one?
7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one has a molecular weight of 515.63 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]chromen-4-one is sourced from PubChem (CID 176622086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).