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

C24H19F2N5O3 — CID 156805244

IUPAC8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ncc2cc(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C24H19F2N5O3/c1-3-33-24-27-12-15-10-18(14-4-9-19-20(11-14)30(2)13-28-19)22(32)31(21(15)29-24)16-5-7-17(8-6-16)34-23(25)26/h4-13,23H,3H2,1-2H3
InChIKeyDOAANOOOWBAPIM-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.33
Rot. Bonds6

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

8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156805244) has the molecular formula C24H19F2N5O3 and a molecular weight of 463.44 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID156805244
Molecular FormulaC24H19F2N5O3
Molecular Weight463.44 g/mol
Exact Mass463.15
IUPAC Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ncc2cc(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C24H19F2N5O3/c1-3-33-24-27-12-15-10-18(14-4-9-19-20(11-14)30(2)13-28-19)22(32)31(21(15)29-24)16-5-7-17(8-6-16)34-23(25)26/h4-13,23H,3H2,1-2H3
InChIKeyDOAANOOOWBAPIM-UHFFFAOYSA-N
XLogP4.33
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
Embibatinib
CID 146458745
1-(Cyclopropylmethyl)-2-[(6-ethoxy-3-pyridinyl)methyl]-N,N-diethyl-1H-benzimidazole-5-carboxamide
CID 10294778
N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11498089
2-(4-ethoxybenzyl)-N,N-diethyl-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 22181322
2-(4-Ethoxybenzyl)-N,N-diethyl-1-(4-pyridinylmethyl)-1H-benzimidazole-5-carboxamide
CID 22181344
2-(4-Ethoxybenzyl)-N,N-diethyl-1-[2-(1-piperidinyl)ethyl]-1H-benzimidazole-5-carboxamide
CID 22181436
N,N-diisopentyl-2-(4-methoxyphenylamino)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432930
2-[(4-methoxyphenyl)methyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 44432965
(E)-4-Fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(pyridin-2-yloxy)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide
CID 56650693
4-[8-(2-Fluoroanilino)-2-(4-methoxyanilino)purin-9-yl]cyclohexane-1-carboxamide
CID 57395293
[1-(3-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307820

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 156805244) is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is CCOc1ncc2cc(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DOAANOOOWBAPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3/c1-3-33-24-27-12-15-10-18(14-4-9-19-20(11-14)30(2)13-28-19)22(32)31(21(15)29-24)16-5-7-17(8-6-16)34-23(25)26/h4-13,23H,3H2,1-2H3.
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 463.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-(3-methylbenzimidazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156805244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).