1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid

C20H21N5O2 — CID 91562420

IUPAC1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCc1c[nH]c2ncnc(N3CC4(CCN(C(=O)O)CC4)c4ccccc43)c12
InChIInChI=1S/C20H21N5O2/c1-13-10-21-17-16(13)18(23-12-22-17)25-11-20(14-4-2-3-5-15(14)25)6-8-24(9-7-20)19(26)27/h2-5,10,12H,6-9,11H2,1H3,(H,26,27)(H,21,22,23)
InChIKeyPALUWFGBNIXPTO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.43
Rot. Bonds1

About 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid

1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 91562420) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID91562420
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCc1c[nH]c2ncnc(N3CC4(CCN(C(=O)O)CC4)c4ccccc43)c12
InChIInChI=1S/C20H21N5O2/c1-13-10-21-17-16(13)18(23-12-22-17)25-11-20(14-4-2-3-5-15(14)25)6-8-24(9-7-20)19(26)27/h2-5,10,12H,6-9,11H2,1H3,(H,26,27)(H,21,22,23)
InChIKeyPALUWFGBNIXPTO-UHFFFAOYSA-N
XLogP3.43
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91053755
2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 68980613
(3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]
CID 11996170
4-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoic acid
CID 69475578
4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 123468186
4-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 141207495
(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155879689
3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
CID 69186475
(2R)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 68727716
(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155870777
(5-methylfuran-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155874195
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid (CID 91562420) is 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid is Cc1c[nH]c2ncnc(N3CC4(CCN(C(=O)O)CC4)c4ccccc43)c12.
What is the InChIKey of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is PALUWFGBNIXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-10-21-17-16(13)18(23-12-22-17)25-11-20(14-4-2-3-5-15(14)25)6-8-24(9-7-20)19(26)27/h2-5,10,12H,6-9,11H2,1H3,(H,26,27)(H,21,22,23).
What are the key properties of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 91562420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).