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

C25H34F3N7O — CID 51346966

IUPAC(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CCC(F)(F)F)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C25H34F3N7O/c1-17-14-20(36)32-22-21(17)24(30-16-29-22)34-10-5-18(6-11-34)23-31-19(4-7-25(26,27)28)15-35(23)13-12-33-8-2-3-9-33/h15-18H,2-14H2,1H3,(H,29,30,32,36)/t17-/m1/s1
InChIKeyQRULDXBXPXGMQS-QGZVFWFLSA-N
MW505.59 g/mol
LogP4.09
Rot. Bonds7

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

(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 51346966) has the molecular formula C25H34F3N7O and a molecular weight of 505.59 g/mol. Its IUPAC name is (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID51346966
Molecular FormulaC25H34F3N7O
Molecular Weight505.59 g/mol
Exact Mass505.28
IUPAC Name(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CCC(F)(F)F)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C25H34F3N7O/c1-17-14-20(36)32-22-21(17)24(30-16-29-22)34-10-5-18(6-11-34)23-31-19(4-7-25(26,27)28)15-35(23)13-12-33-8-2-3-9-33/h15-18H,2-14H2,1H3,(H,29,30,32,36)/t17-/m1/s1
InChIKeyQRULDXBXPXGMQS-QGZVFWFLSA-N
XLogP4.09
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 51346966) is (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CCC(F)(F)F)cn4CCN4CCCC4)CC3)c21.
What is the InChIKey of (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QRULDXBXPXGMQS-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H34F3N7O/c1-17-14-20(36)32-22-21(17)24(30-16-29-22)34-10-5-18(6-11-34)23-31-19(4-7-25(26,27)28)15-35(23)13-12-33-8-2-3-9-33/h15-18H,2-14H2,1H3,(H,29,30,32,36)/t17-/m1/s1.
What are the key properties of (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 505.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 51346966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).