(5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C23H30F3N7O — CID 67954702

IUPAC(5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNCC4CC4)CC3)c21
InChIInChI=1S/C23H30F3N7O/c1-14-10-18(34)31-20-19(14)22(29-13-28-20)32-7-4-16(5-8-32)21-30-17(23(24,25)26)12-33(21)9-6-27-11-15-2-3-15/h12-16,27H,2-11H2,1H3,(H,28,29,31,34)/t14-/m1/s1
InChIKeyIMYAPVHBJBEHSM-CQSZACIVSA-N
MW477.54 g/mol
LogP3.52
Rot. Bonds7

About (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954702) has the molecular formula C23H30F3N7O and a molecular weight of 477.54 g/mol. Its IUPAC name is (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67954702
Molecular FormulaC23H30F3N7O
Molecular Weight477.54 g/mol
Exact Mass477.25
IUPAC Name(5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNCC4CC4)CC3)c21
InChIInChI=1S/C23H30F3N7O/c1-14-10-18(34)31-20-19(14)22(29-13-28-20)32-7-4-16(5-8-32)21-30-17(23(24,25)26)12-33(21)9-6-27-11-15-2-3-15/h12-16,27H,2-11H2,1H3,(H,28,29,31,34)/t14-/m1/s1
InChIKeyIMYAPVHBJBEHSM-CQSZACIVSA-N
XLogP3.52
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-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 (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954702) is (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNCC4CC4)CC3)c21.
What is the InChIKey of (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IMYAPVHBJBEHSM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H30F3N7O/c1-14-10-18(34)31-20-19(14)22(29-13-28-20)32-7-4-16(5-8-32)21-30-17(23(24,25)26)12-33(21)9-6-27-11-15-2-3-15/h12-16,27H,2-11H2,1H3,(H,28,29,31,34)/t14-/m1/s1.
What are the key properties of (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).