3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one

C25H20F2N2O3 — CID 51029590

IUPAC3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one
SMILESNC1(c2ccc(-c3c(-c4ccccc4)oc4c(OC(F)F)nccc4c3=O)cc2)CCC1
InChIInChI=1S/C25H20F2N2O3/c26-24(27)32-23-22-18(11-14-29-23)20(30)19(21(31-22)16-5-2-1-3-6-16)15-7-9-17(10-8-15)25(28)12-4-13-25/h1-3,5-11,14,24H,4,12-13,28H2
InChIKeyKNPMZEVYMYBLMW-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.46
Rot. Bonds5

About 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one

3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one (PubChem CID 51029590) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one
PubChem CID51029590
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one
SMILESNC1(c2ccc(-c3c(-c4ccccc4)oc4c(OC(F)F)nccc4c3=O)cc2)CCC1
InChIInChI=1S/C25H20F2N2O3/c26-24(27)32-23-22-18(11-14-29-23)20(30)19(21(31-22)16-5-2-1-3-6-16)15-7-9-17(10-8-15)25(28)12-4-13-25/h1-3,5-11,14,24H,4,12-13,28H2
InChIKeyKNPMZEVYMYBLMW-UHFFFAOYSA-N
XLogP5.46
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831
7-[4-(1-aminocyclobutyl)phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 51030518
7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
CID 51030517
3-[4-(1-aminocyclobutyl)phenyl]-2-phenyl-8-(1H-pyrazol-4-yl)chromen-4-one;hydrochloride
CID 67067845
tert-butyl N-[1-[4-(8-methoxy-4-oxo-2-phenylpyrano[2,3-c]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 67067750
4-[3-[4-(1-aminocyclobutyl)phenyl]-4-oxo-2-phenylchromen-8-yl]piperazin-2-one
CID 51030232
1-[4-(3-phenylfuro[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 52933258
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylfuro[2,3-b]pyridin-5-amine;trihydrochloride
CID 131740571
7-[4-[1-[3-[4-(1-aminocyclobutyl)phenyl]-6-fluoro-4-oxo-2-phenylchromen-5-yl]cyclobutyl]phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 123227052
CID 87256779
CID 87256779
tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
CID 86671058
1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine
CID 67205742

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one (CID 51029590) is 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one is NC1(c2ccc(-c3c(-c4ccccc4)oc4c(OC(F)F)nccc4c3=O)cc2)CCC1.
What is the InChIKey of 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one?
The InChIKey is KNPMZEVYMYBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c26-24(27)32-23-22-18(11-14-29-23)20(30)19(21(31-22)16-5-2-1-3-6-16)15-7-9-17(10-8-15)25(28)12-4-13-25/h1-3,5-11,14,24H,4,12-13,28H2.
What are the key properties of 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one?
3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one has a molecular weight of 434.44 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 51029590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).