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

C28H26F3N7O2 — CID 170707409

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(C(C)c3ccc(C4=NC(C(F)(F)F)CN4C)cc3)c2n1
InChIInChI=1S/C28H26F3N7O2/c1-15(16-4-8-18(9-5-16)25-35-20(13-37(25)2)28(29,30)31)38-21(39)11-10-19-12-32-24(36-26(19)38)22-23(17-6-7-17)33-14-34-27(22)40-3/h4-5,8-12,14-15,17,20H,6-7,13H2,1-3H3
InChIKeyCKWNGPQIQPAZHE-UHFFFAOYSA-N
MW549.56 g/mol
LogP4.37
Rot. Bonds6

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170707409) has the molecular formula C28H26F3N7O2 and a molecular weight of 549.56 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID170707409
Molecular FormulaC28H26F3N7O2
Molecular Weight549.56 g/mol
Exact Mass549.21
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(C(C)c3ccc(C4=NC(C(F)(F)F)CN4C)cc3)c2n1
InChIInChI=1S/C28H26F3N7O2/c1-15(16-4-8-18(9-5-16)25-35-20(13-37(25)2)28(29,30)31)38-21(39)11-10-19-12-32-24(36-26(19)38)22-23(17-6-7-17)33-14-34-27(22)40-3/h4-5,8-12,14-15,17,20H,6-7,13H2,1-3H3
InChIKeyCKWNGPQIQPAZHE-UHFFFAOYSA-N
XLogP4.37
TPSA98.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]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-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one (CID 170707409) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(C(C)c3ccc(C4=NC(C(F)(F)F)CN4C)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CKWNGPQIQPAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O2/c1-15(16-4-8-18(9-5-16)25-35-20(13-37(25)2)28(29,30)31)38-21(39)11-10-19-12-32-24(36-26(19)38)22-23(17-6-7-17)33-14-34-27(22)40-3/h4-5,8-12,14-15,17,20H,6-7,13H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 549.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170707409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).