8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

C25H22F2N6O2 — CID 156805218

IUPAC8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Nc1ncc2cc(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C25H22F2N6O2/c1-14(2)30-25-28-12-16-10-19(15-4-9-20-21(11-15)32(3)13-29-20)23(34)33(22(16)31-25)17-5-7-18(8-6-17)35-24(26)27/h4-14,24H,1-3H3,(H,28,30,31)
InChIKeyOSXPSNDYSYAARV-UHFFFAOYSA-N
MW476.49 g/mol
LogP4.76
Rot. Bonds6

About 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156805218) has the molecular formula C25H22F2N6O2 and a molecular weight of 476.49 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID156805218
Molecular FormulaC25H22F2N6O2
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Nc1ncc2cc(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C25H22F2N6O2/c1-14(2)30-25-28-12-16-10-19(15-4-9-20-21(11-15)32(3)13-29-20)23(34)33(22(16)31-25)17-5-7-18(8-6-17)35-24(26)27/h4-14,24H,1-3H3,(H,28,30,31)
InChIKeyOSXPSNDYSYAARV-UHFFFAOYSA-N
XLogP4.76
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-7-one
CID 156805234
6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[6-(trifluoromethoxy)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 156805183
4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182306
4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182169
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
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-[2-(2-hydroxyethylamino)ethyl]-3-methylbenzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 166647868
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
CID 155343664
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
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
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
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
8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 155347843

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 156805218) is 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is CC(C)Nc1ncc2cc(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OSXPSNDYSYAARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O2/c1-14(2)30-25-28-12-16-10-19(15-4-9-20-21(11-15)32(3)13-29-20)23(34)33(22(16)31-25)17-5-7-18(8-6-17)35-24(26)27/h4-14,24H,1-3H3,(H,28,30,31).
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 476.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156805218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).