8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one

C34H36F2N6O4 — CID 156805214

IUPAC8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ncc2cc(-c3ccc4nc(CCN5CCC6(CCOCC6)C5)n(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C34H36F2N6O4/c1-3-45-33-37-20-23-18-26(31(43)42(30(23)39-33)24-5-7-25(8-6-24)46-32(35)36)22-4-9-27-28(19-22)40(2)29(38-27)10-14-41-15-11-34(21-41)12-16-44-17-13-34/h4-9,18-20,32H,3,10-17,21H2,1-2H3
InChIKeyOJEWJMAGLZWDDJ-UHFFFAOYSA-N
MW630.70 g/mol
LogP5.38
Rot. Bonds9

About 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one

8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156805214) has the molecular formula C34H36F2N6O4 and a molecular weight of 630.70 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID156805214
Molecular FormulaC34H36F2N6O4
Molecular Weight630.70 g/mol
Exact Mass630.28
IUPAC Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ncc2cc(-c3ccc4nc(CCN5CCC6(CCOCC6)C5)n(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C34H36F2N6O4/c1-3-45-33-37-20-23-18-26(31(43)42(30(23)39-33)24-5-7-25(8-6-24)46-32(35)36)22-4-9-27-28(19-22)40(2)29(38-27)10-14-41-15-11-34(21-41)12-16-44-17-13-34/h4-9,18-20,32H,3,10-17,21H2,1-2H3
InChIKeyOJEWJMAGLZWDDJ-UHFFFAOYSA-N
XLogP5.38
TPSA96.53 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.70
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[(1-methylcyclopropyl)methoxymethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 156805197
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-[[1-(3-fluoropropyl)azetidin-3-yl]oxymethyl]-3-methylbenzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 166647843
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one
CID 167273113
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-[2-(2-hydroxyethylamino)ethyl]-3-methylbenzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 166647868
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[3-methyl-2-[[methyl(oxetan-3-ylmethyl)amino]methyl]benzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 156805153
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-7-one
CID 156805234
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 156805218
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
CID 175835407
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 156805271
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one (CID 156805214) is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one is CCOc1ncc2cc(-c3ccc4nc(CCN5CCC6(CCOCC6)C5)n(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OJEWJMAGLZWDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F2N6O4/c1-3-45-33-37-20-23-18-26(31(43)42(30(23)39-33)24-5-7-25(8-6-24)46-32(35)36)22-4-9-27-28(19-22)40(2)29(38-27)10-14-41-15-11-34(21-41)12-16-44-17-13-34/h4-9,18-20,32H,3,10-17,21H2,1-2H3.
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one?
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 630.70 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156805214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).