8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one

C31H36N6O2 — CID 176622121

IUPAC8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one
SMILESCC1CC(c2cncc(-c3coc4c(C5CC5)nc(C(C)NC5(C)CCC5)cc4c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C31H36N6O2/c1-18-12-31(13-18,29-36-33-17-37(29)4)22-10-21(14-32-15-22)24-16-39-28-23(27(24)38)11-25(34-26(28)20-6-7-20)19(2)35-30(3)8-5-9-30/h10-11,14-20,35H,5-9,12-13H2,1-4H3
InChIKeyNRIUHNPMJBRDMZ-UHFFFAOYSA-N
MW524.67 g/mol
LogP5.57
Rot. Bonds7

About 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one

8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one (PubChem CID 176622121) has the molecular formula C31H36N6O2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one
PubChem CID176622121
Molecular FormulaC31H36N6O2
Molecular Weight524.67 g/mol
Exact Mass524.29
IUPAC Name8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one
SMILESCC1CC(c2cncc(-c3coc4c(C5CC5)nc(C(C)NC5(C)CCC5)cc4c3=O)c2)(c2nncn2C)C1
InChIInChI=1S/C31H36N6O2/c1-18-12-31(13-18,29-36-33-17-37(29)4)22-10-21(14-32-15-22)24-16-39-28-23(27(24)38)11-25(34-26(28)20-6-7-20)19(2)35-30(3)8-5-9-30/h10-11,14-20,35H,5-9,12-13H2,1-4H3
InChIKeyNRIUHNPMJBRDMZ-UHFFFAOYSA-N
XLogP5.57
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]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-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one (CID 176622121) is 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one is CC1CC(c2cncc(-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-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one?
The InChIKey is NRIUHNPMJBRDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O2/c1-18-12-31(13-18,29-36-33-17-37(29)4)22-10-21(14-32-15-22)24-16-39-28-23(27(24)38)11-25(34-26(28)20-6-7-20)19(2)35-30(3)8-5-9-30/h10-11,14-20,35H,5-9,12-13H2,1-4H3.
What are the key properties of 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one?
8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one has a molecular weight of 524.67 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-[1-[(1-methylcyclobutyl)amino]ethyl]-3-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 176622121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).