2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate

C23H27N5O2 — CID 68980613

IUPAC2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12
InChIInChI=1S/C23H27N5O2/c1-16(2)13-30-22(29)27-11-8-23(9-12-27)14-28(19-6-4-3-5-18(19)23)21-17-7-10-24-20(17)25-15-26-21/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,24,25,26)
InChIKeyVAESVCSCUIEUOE-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.24
Rot. Bonds3

About 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate

2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 68980613) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
PubChem CID68980613
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12
InChIInChI=1S/C23H27N5O2/c1-16(2)13-30-22(29)27-11-8-23(9-12-27)14-28(19-6-4-3-5-18(19)23)21-17-7-10-24-20(17)25-15-26-21/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,24,25,26)
InChIKeyVAESVCSCUIEUOE-UHFFFAOYSA-N
XLogP4.24
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate 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

4-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoic acid
CID 69475578
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91053755
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91562420
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
CID 68980012
(3S)-5-chloro-1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]
CID 11996311
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
2-methylpropyl (3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 67361459
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 11996455
1-[(3aS)-3a-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 118133328
3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-yl]benzonitrile
CID 68982537
4-amino-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 164628301
4-(6-aminopurin-9-yl)butyl 1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 138611417

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate (CID 68980613) is 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate is CC(C)COC(=O)N1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12.
What is the InChIKey of 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is VAESVCSCUIEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16(2)13-30-22(29)27-11-8-23(9-12-27)14-28(19-6-4-3-5-18(19)23)21-17-7-10-24-20(17)25-15-26-21/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H,24,25,26).
What are the key properties of 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate?
2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 68980613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).