4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

C24H30FN5O4 — CID 138594282

IUPAC4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)c2c(F)ccc(OCC(C)(C)O)c21
InChIInChI=1S/C24H30FN5O4/c1-23(2,33)13-34-16-7-6-15(25)17-18(16)29(3)21(32)24(17)8-11-30(12-9-24)22-27-19-14(20(31)28-22)5-4-10-26-19/h6-7,33H,4-5,8-13H2,1-3H3,(H2,26,27,28,31)
InChIKeyBRISUTUWDGRHCL-UHFFFAOYSA-N
MW471.53 g/mol
LogP1.93
Rot. Bonds4

About 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 138594282) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID138594282
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC Name4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)c2c(F)ccc(OCC(C)(C)O)c21
InChIInChI=1S/C24H30FN5O4/c1-23(2,33)13-34-16-7-6-15(25)17-18(16)29(3)21(32)24(17)8-11-30(12-9-24)22-27-19-14(20(31)28-22)5-4-10-26-19/h6-7,33H,4-5,8-13H2,1-3H3,(H2,26,27,28,31)
InChIKeyBRISUTUWDGRHCL-UHFFFAOYSA-N
XLogP1.93
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (CID 138594282) is 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)c2c(F)ccc(OCC(C)(C)O)c21.
What is the InChIKey of 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is BRISUTUWDGRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-23(2,33)13-34-16-7-6-15(25)17-18(16)29(3)21(32)24(17)8-11-30(12-9-24)22-27-19-14(20(31)28-22)5-4-10-26-19/h6-7,33H,4-5,8-13H2,1-3H3,(H2,26,27,28,31).
What are the key properties of 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?
4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 471.53 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-(2-hydroxy-2-methylpropoxy)-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).