2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one

C20H21N5O — CID 138595124

IUPAC2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CC2(CCN(c3nc4ncccc4c(=O)[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H21N5O/c1-24-13-20(15-6-2-3-7-16(15)24)8-11-25(12-9-20)19-22-17-14(18(26)23-19)5-4-10-21-17/h2-7,10H,8-9,11-13H2,1H3,(H,21,22,23,26)
InChIKeyFDURONRWQBVYDA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.31
Rot. Bonds1

About 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 138595124) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID138595124
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CC2(CCN(c3nc4ncccc4c(=O)[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H21N5O/c1-24-13-20(15-6-2-3-7-16(15)24)8-11-25(12-9-20)19-22-17-14(18(26)23-19)5-4-10-21-17/h2-7,10H,8-9,11-13H2,1H3,(H,21,22,23,26)
InChIKeyFDURONRWQBVYDA-UHFFFAOYSA-N
XLogP2.31
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 138595124) is 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one is CN1CC2(CCN(c3nc4ncccc4c(=O)[nH]3)CC2)c2ccccc21.
What is the InChIKey of 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FDURONRWQBVYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-13-20(15-6-2-3-7-16(15)24)8-11-25(12-9-20)19-22-17-14(18(26)23-19)5-4-10-21-17/h2-7,10H,8-9,11-13H2,1H3,(H,21,22,23,26).
What are the key properties of 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138595124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).