4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one

C28H35N7O — CID 159703786

IUPAC4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one
SMILESCc1ccc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4CC(=O)CN5)CC3)n2)cc1
InChIInChI=1S/C28H35N7O/c1-20-4-6-21(7-5-20)25-18-35(15-14-33-10-2-3-11-33)27(32-25)22-8-12-34(13-9-22)28-24-16-23(36)17-29-26(24)30-19-31-28/h4-7,18-19,22H,2-3,8-17H2,1H3,(H,29,30,31)
InChIKeyMXYLMVJTROBESL-UHFFFAOYSA-N
MW485.64 g/mol
LogP3.67
Rot. Bonds6

About 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one

4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one (PubChem CID 159703786) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one
PubChem CID159703786
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one
SMILESCc1ccc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4CC(=O)CN5)CC3)n2)cc1
InChIInChI=1S/C28H35N7O/c1-20-4-6-21(7-5-20)25-18-35(15-14-33-10-2-3-11-33)27(32-25)22-8-12-34(13-9-22)28-24-16-23(36)17-29-26(24)30-19-31-28/h4-7,18-19,22H,2-3,8-17H2,1H3,(H,29,30,31)
InChIKeyMXYLMVJTROBESL-UHFFFAOYSA-N
XLogP3.67
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255187
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 59322372
4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 74766899
4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
CID 141413246
(5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67976766
5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450740
4-[4-[4-cyclopropyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 123524858
4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pteridin-6-one
CID 74767466
(5R)-4-[4-[4-cyclohexyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67954602
4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(3-chloro-4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 74766669
(5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 52913954
4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol
CID 144555011

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one (CID 159703786) is 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one is Cc1ccc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4CC(=O)CN5)CC3)n2)cc1.
What is the InChIKey of 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
The InChIKey is MXYLMVJTROBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-20-4-6-21(7-5-20)25-18-35(15-14-33-10-2-3-11-33)27(32-25)22-8-12-34(13-9-22)28-24-16-23(36)17-29-26(24)30-19-31-28/h4-7,18-19,22H,2-3,8-17H2,1H3,(H,29,30,31).
What are the key properties of 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one?
4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one has a molecular weight of 485.64 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159703786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).