N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine

C23H30N6 — CID 11997522

IUPACN-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
SMILESCC(C)(C)CNc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2[nH]ccc12
InChIInChI=1S/C23H30N6/c1-22(2,3)13-26-16-4-5-19-18(12-16)23(7-10-24-11-8-23)14-29(19)21-17-6-9-25-20(17)27-15-28-21/h4-6,9,12,15,24,26H,7-8,10-11,13-14H2,1-3H3,(H,25,27,28)
InChIKeyZQRAUUPCNFWJHK-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.19
Rot. Bonds3

About N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine

N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine (PubChem CID 11997522) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
PubChem CID11997522
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC NameN-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
SMILESCC(C)(C)CNc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2[nH]ccc12
InChIInChI=1S/C23H30N6/c1-22(2,3)13-26-16-4-5-19-18(12-16)23(7-10-24-11-8-23)14-29(19)21-17-6-9-25-20(17)27-15-28-21/h4-6,9,12,15,24,26H,7-8,10-11,13-14H2,1-3H3,(H,25,27,28)
InChIKeyZQRAUUPCNFWJHK-UHFFFAOYSA-N
XLogP4.19
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
CID 11997386
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
CID 68980012
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 11996455
3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-yl]benzonitrile
CID 68982537
(3S)-5-chloro-1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]
CID 11996311
4-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoic acid
CID 69475578
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
2-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-yl]acetamide
CID 68735066
4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18473274
4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
CID 141448659
4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 162214301

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine (CID 11997522) is N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine is CC(C)(C)CNc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2[nH]ccc12.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine?
The InChIKey is ZQRAUUPCNFWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-22(2,3)13-26-16-4-5-19-18(12-16)23(7-10-24-11-8-23)14-29(19)21-17-6-9-25-20(17)27-15-28-21/h4-6,9,12,15,24,26H,7-8,10-11,13-14H2,1-3H3,(H,25,27,28).
What are the key properties of N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine?
N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine has a molecular weight of 390.54 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine is sourced from PubChem (CID 11997522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).