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

C24H32FN5O3 — CID 138594624

IUPAC2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(F)c2c1N(CC(C)(C)O)CC21CCN(c2nc3c(c(=O)[nH]2)CCCN3)CC1
InChIInChI=1S/C24H32FN5O3/c1-23(2,32)13-30-14-24(18-16(25)6-7-17(33-3)19(18)30)8-11-29(12-9-24)22-27-20-15(21(31)28-22)5-4-10-26-20/h6-7,32H,4-5,8-14H2,1-3H3,(H2,26,27,28,31)
InChIKeyQHFRNRQXQMUCIP-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.40
Rot. Bonds4

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

2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 138594624) has the molecular formula C24H32FN5O3 and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID138594624
Molecular FormulaC24H32FN5O3
Molecular Weight457.55 g/mol
Exact Mass457.25
IUPAC Name2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(F)c2c1N(CC(C)(C)O)CC21CCN(c2nc3c(c(=O)[nH]2)CCCN3)CC1
InChIInChI=1S/C24H32FN5O3/c1-23(2,32)13-30-14-24(18-16(25)6-7-17(33-3)19(18)30)8-11-29(12-9-24)22-27-20-15(21(31)28-22)5-4-10-26-20/h6-7,32H,4-5,8-14H2,1-3H3,(H2,26,27,28,31)
InChIKeyQHFRNRQXQMUCIP-UHFFFAOYSA-N
XLogP2.40
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-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 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 138594624) is 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc(F)c2c1N(CC(C)(C)O)CC21CCN(c2nc3c(c(=O)[nH]2)CCCN3)CC1.
What is the InChIKey of 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QHFRNRQXQMUCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O3/c1-23(2,32)13-30-14-24(18-16(25)6-7-17(33-3)19(18)30)8-11-29(12-9-24)22-27-20-15(21(31)28-22)5-4-10-26-20/h6-7,32H,4-5,8-14H2,1-3H3,(H2,26,27,28,31).
What are the key properties of 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 457.55 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-1-(2-hydroxy-2-methylpropyl)-7-methoxyspiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138594624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).