2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one

C34H29F3N8O3 — CID 170707740

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2cc(-c3c(C)noc3C)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1
InChIInChI=1S/C34H29F3N8O3/c1-17-26(18(2)48-43-17)24-12-22-13-38-29(27-28(20-8-9-20)39-16-40-32(27)47-3)42-31(22)45(33(24)46)14-19-4-6-21(7-5-19)30-41-25(34(35,36)37)15-44(30)23-10-11-23/h4-7,12-13,15-16,20,23H,8-11,14H2,1-3H3
InChIKeyDTQJOXAUTAZNRY-UHFFFAOYSA-N
MW654.65 g/mol
LogP6.67
Rot. Bonds8

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170707740) has the molecular formula C34H29F3N8O3 and a molecular weight of 654.65 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID170707740
Molecular FormulaC34H29F3N8O3
Molecular Weight654.65 g/mol
Exact Mass654.23
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2cc(-c3c(C)noc3C)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1
InChIInChI=1S/C34H29F3N8O3/c1-17-26(18(2)48-43-17)24-12-22-13-38-29(27-28(20-8-9-20)39-16-40-32(27)47-3)42-31(22)45(33(24)46)14-19-4-6-21(7-5-19)30-41-25(34(35,36)37)15-44(30)23-10-11-23/h4-7,12-13,15-16,20,23H,8-11,14H2,1-3H3
InChIKeyDTQJOXAUTAZNRY-UHFFFAOYSA-N
XLogP6.67
TPSA126.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.65
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 170707740) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2cc(-c3c(C)noc3C)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DTQJOXAUTAZNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F3N8O3/c1-17-26(18(2)48-43-17)24-12-22-13-38-29(27-28(20-8-9-20)39-16-40-32(27)47-3)42-31(22)45(33(24)46)14-19-4-6-21(7-5-19)30-41-25(34(35,36)37)15-44(30)23-10-11-23/h4-7,12-13,15-16,20,23H,8-11,14H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 654.65 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170707740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).