4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C19H18N6 — CID 11996623

IUPAC4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12
InChIInChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
InChIKeyPXAOTHLXABAQIT-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.60
Rot. Bonds1

About 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 11996623) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID11996623
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12
InChIInChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
InChIKeyPXAOTHLXABAQIT-UHFFFAOYSA-N
XLogP2.60
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 11996623) is 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12.
What is the InChIKey of 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is PXAOTHLXABAQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24).
What are the key properties of 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 330.40 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[2H-indole-3,4'-piperidine]-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 11996623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).