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

C35H35F3N8O2 — CID 170707708

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2cc(C3=CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1
InChIInChI=1S/C35H35F3N8O2/c1-20(2)45-18-27(35(36,37)38)42-31(45)24-7-5-21(6-8-24)17-46-32-25(15-26(34(46)47)22-11-13-44(3)14-12-22)16-39-30(43-32)28-29(23-9-10-23)40-19-41-33(28)48-4/h5-8,11,15-16,18-20,23H,9-10,12-14,17H2,1-4H3
InChIKeyPODAATZUEANCGR-UHFFFAOYSA-N
MW656.71 g/mol
LogP6.36
Rot. Bonds8

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170707708) has the molecular formula C35H35F3N8O2 and a molecular weight of 656.71 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID170707708
Molecular FormulaC35H35F3N8O2
Molecular Weight656.71 g/mol
Exact Mass656.28
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2cc(C3=CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1
InChIInChI=1S/C35H35F3N8O2/c1-20(2)45-18-27(35(36,37)38)42-31(45)24-7-5-21(6-8-24)17-46-32-25(15-26(34(46)47)22-11-13-44(3)14-12-22)16-39-30(43-32)28-29(23-9-10-23)40-19-41-33(28)48-4/h5-8,11,15-16,18-20,23H,9-10,12-14,17H2,1-4H3
InChIKeyPODAATZUEANCGR-UHFFFAOYSA-N
XLogP6.36
TPSA103.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.71
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 170707708) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2cc(C3=CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PODAATZUEANCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F3N8O2/c1-20(2)45-18-27(35(36,37)38)42-31(45)24-7-5-21(6-8-24)17-46-32-25(15-26(34(46)47)22-11-13-44(3)14-12-22)16-39-30(43-32)28-29(23-9-10-23)40-19-41-33(28)48-4/h5-8,11,15-16,18-20,23H,9-10,12-14,17H2,1-4H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 656.71 g/mol, XLogP of 6.36, 8 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)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170707708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).