8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one

C32H37N5O2 — CID 170270276

IUPAC8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one
SMILESCC1CC(c2cccc(-c3coc4c(C5CC5)nc(C(C)NC5(C)CCC5)cc4c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C32H37N5O2/c1-19-15-32(16-19,30-36-33-18-37(30)4)23-8-5-7-22(13-23)25-17-39-29-24(28(25)38)14-26(34-27(29)21-9-10-21)20(2)35-31(3)11-6-12-31/h5,7-8,13-14,17-21,35H,6,9-12,15-16H2,1-4H3
InChIKeyUHQVOIGMIQXTNA-UHFFFAOYSA-N
MW523.68 g/mol
LogP6.17
Rot. Bonds7

About 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one

8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one (PubChem CID 170270276) has the molecular formula C32H37N5O2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one
PubChem CID170270276
Molecular FormulaC32H37N5O2
Molecular Weight523.68 g/mol
Exact Mass523.29
IUPAC Name8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one
SMILESCC1CC(c2cccc(-c3coc4c(C5CC5)nc(C(C)NC5(C)CCC5)cc4c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C32H37N5O2/c1-19-15-32(16-19,30-36-33-18-37(30)4)23-8-5-7-22(13-23)25-17-39-29-24(28(25)38)14-26(34-27(29)21-9-10-21)20(2)35-31(3)11-6-12-31/h5,7-8,13-14,17-21,35H,6,9-12,15-16H2,1-4H3
InChIKeyUHQVOIGMIQXTNA-UHFFFAOYSA-N
XLogP6.17
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one (CID 170270276) is 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one is CC1CC(c2cccc(-c3coc4c(C5CC5)nc(C(C)NC5(C)CCC5)cc4c3=O)c2)(c2nncn2C)C1.
What is the InChIKey of 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?
The InChIKey is UHQVOIGMIQXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O2/c1-19-15-32(16-19,30-36-33-18-37(30)4)23-8-5-7-22(13-23)25-17-39-29-24(28(25)38)14-26(34-27(29)21-9-10-21)20(2)35-31(3)11-6-12-31/h5,7-8,13-14,17-21,35H,6,9-12,15-16H2,1-4H3.
What are the key properties of 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?
8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one has a molecular weight of 523.68 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 170270276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).