4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C12H13N5 — CID 22484488

IUPAC4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N3CCCCC3)c12
InChIInChI=1S/C12H13N5/c13-6-9-7-14-11-10(9)12(16-8-15-11)17-4-2-1-3-5-17/h7-8H,1-5H2,(H,14,15,16)
InChIKeyGHSRTNSNMAEOFG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.82
Rot. Bonds1

About 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 22484488) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID22484488
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N3CCCCC3)c12
InChIInChI=1S/C12H13N5/c13-6-9-7-14-11-10(9)12(16-8-15-11)17-4-2-1-3-5-17/h7-8H,1-5H2,(H,14,15,16)
InChIKeyGHSRTNSNMAEOFG-UHFFFAOYSA-N
XLogP1.82
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211787
2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708945
4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211836
4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211750
3-[4-(azetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 118725474
4-[3-amino-3-[(4-chloroanilino)methyl]pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 59671685
4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 90436574
2-fluoro-3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 72706344
N-[[(3S)-3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-chloro-4,5-difluorobenzamide
CID 69237595
N-[amino-[(2S)-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methylidene]-5-methyl-1H-pyrrole-2-carboxamide
CID 144558044
1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 137408213
4-[(2S)-2-(5-chloro-3-cyclobutyl-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118446103

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 22484488) is 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2ncnc(N3CCCCC3)c12.
What is the InChIKey of 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is GHSRTNSNMAEOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-6-9-7-14-11-10(9)12(16-8-15-11)17-4-2-1-3-5-17/h7-8H,1-5H2,(H,14,15,16).
What are the key properties of 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 22484488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).