4-fluoro-7-(2-hydroxyethoxy)-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

C22H26FN5O4 — CID 138594191

IUPAC4-fluoro-7-(2-hydroxyethoxy)-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(OCCO)c21
InChIInChI=1S/C22H26FN5O4/c1-27-17-15(32-12-11-29)5-4-14(23)16(17)22(20(27)31)6-9-28(10-7-22)21-25-18-13(19(30)26-21)3-2-8-24-18/h4-5,29H,2-3,6-12H2,1H3,(H2,24,25,26,30)
InChIKeyZKVDCIJIUPVFIZ-UHFFFAOYSA-N
MW443.48 g/mol
LogP1.15
Rot. Bonds4

About 4-fluoro-7-(2-hydroxyethoxy)-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-hydroxyethoxy)-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 138594191) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-fluoro-7-(2-hydroxyethoxy)-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-hydroxyethoxy)-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 CID138594191
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC Name4-fluoro-7-(2-hydroxyethoxy)-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(OCCO)c21
InChIInChI=1S/C22H26FN5O4/c1-27-17-15(32-12-11-29)5-4-14(23)16(17)22(20(27)31)6-9-28(10-7-22)21-25-18-13(19(30)26-21)3-2-8-24-18/h4-5,29H,2-3,6-12H2,1H3,(H2,24,25,26,30)
InChIKeyZKVDCIJIUPVFIZ-UHFFFAOYSA-N
XLogP1.15
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-7-(2-hydroxyethoxy)-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 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 4-fluoro-7-(2-hydroxyethoxy)-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-hydroxyethoxy)-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 138594191) is 4-fluoro-7-(2-hydroxyethoxy)-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-hydroxyethoxy)-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-hydroxyethoxy)-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(OCCO)c21.
What is the InChIKey of 4-fluoro-7-(2-hydroxyethoxy)-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 ZKVDCIJIUPVFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-27-17-15(32-12-11-29)5-4-14(23)16(17)22(20(27)31)6-9-28(10-7-22)21-25-18-13(19(30)26-21)3-2-8-24-18/h4-5,29H,2-3,6-12H2,1H3,(H2,24,25,26,30).
What are the key properties of 4-fluoro-7-(2-hydroxyethoxy)-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-hydroxyethoxy)-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 443.48 g/mol, XLogP of 1.15, 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-hydroxyethoxy)-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 138594191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).