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

C26H21F3N8O2 — CID 170095696

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)nc3)c2n1
InChIInChI=1S/C26H21F3N8O2/c1-36-12-18(26(27,28)29)34-24(36)17-7-3-14(9-30-17)11-37-19(38)8-6-16-10-31-22(35-23(16)37)20-21(15-4-5-15)32-13-33-25(20)39-2/h3,6-10,12-13,15H,4-5,11H2,1-2H3
InChIKeyVIMNOHSJOCBUSU-UHFFFAOYSA-N
MW534.50 g/mol
LogP4.00
Rot. Bonds6

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170095696) has the molecular formula C26H21F3N8O2 and a molecular weight of 534.50 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID170095696
Molecular FormulaC26H21F3N8O2
Molecular Weight534.50 g/mol
Exact Mass534.17
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)nc3)c2n1
InChIInChI=1S/C26H21F3N8O2/c1-36-12-18(26(27,28)29)34-24(36)17-7-3-14(9-30-17)11-37-19(38)8-6-16-10-31-22(35-23(16)37)20-21(15-4-5-15)32-13-33-25(20)39-2/h3,6-10,12-13,15H,4-5,11H2,1-2H3
InChIKeyVIMNOHSJOCBUSU-UHFFFAOYSA-N
XLogP4.00
TPSA113.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]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-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 170095696) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)nc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VIMNOHSJOCBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N8O2/c1-36-12-18(26(27,28)29)34-24(36)17-7-3-14(9-30-17)11-37-19(38)8-6-16-10-31-22(35-23(16)37)20-21(15-4-5-15)32-13-33-25(20)39-2/h3,6-10,12-13,15H,4-5,11H2,1-2H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 534.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170095696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).