2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H29FN6O — CID 92629853

IUPAC2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2
InChIInChI=1S/C25H29FN6O/c1-16-19(14-30(3)29-16)15-31-12-4-5-22(31)24-27-17(2)21-10-11-23(33)32(25(21)28-24)13-18-6-8-20(26)9-7-18/h6-9,14,22H,4-5,10-13,15H2,1-3H3/t22-/m1/s1
InChIKeyIYJFCLCKXNEDNJ-JOCHJYFZSA-N
MW448.55 g/mol
LogP3.78
Rot. Bonds5

About 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629853) has the molecular formula C25H29FN6O and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629853
Molecular FormulaC25H29FN6O
Molecular Weight448.55 g/mol
Exact Mass448.24
IUPAC Name2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2
InChIInChI=1S/C25H29FN6O/c1-16-19(14-30(3)29-16)15-31-12-4-5-22(31)24-27-17(2)21-10-11-23(33)32(25(21)28-24)13-18-6-8-20(26)9-7-18/h6-9,14,22H,4-5,10-13,15H2,1-3H3/t22-/m1/s1
InChIKeyIYJFCLCKXNEDNJ-JOCHJYFZSA-N
XLogP3.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629853) is 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2.
What is the InChIKey of 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IYJFCLCKXNEDNJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29FN6O/c1-16-19(14-30(3)29-16)15-31-12-4-5-22(31)24-27-17(2)21-10-11-23(33)32(25(21)28-24)13-18-6-8-20(26)9-7-18/h6-9,14,22H,4-5,10-13,15H2,1-3H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 448.55 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).