4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C14H15N5 — CID 177211750

IUPAC4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCC12CC1CN(c1ncnc3[nH]cc(C#N)c13)C2
InChIInChI=1S/C14H15N5/c1-2-14-3-10(14)6-19(7-14)13-11-9(4-15)5-16-12(11)17-8-18-13/h5,8,10H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyOKOHUVGAALMMAC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.07
Rot. Bonds2

About 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 177211750) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID177211750
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCC12CC1CN(c1ncnc3[nH]cc(C#N)c13)C2
InChIInChI=1S/C14H15N5/c1-2-14-3-10(14)6-19(7-14)13-11-9(4-15)5-16-12(11)17-8-18-13/h5,8,10H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyOKOHUVGAALMMAC-UHFFFAOYSA-N
XLogP2.07
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile 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-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211778
N-[5-cyano-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
CID 177211732
4-(3,3-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211787
4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22484488
4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211836
4-[3-amino-3-[(4-chloroanilino)methyl]pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 59671685
3-[4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 177211682
3-cyclopropyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167819507
1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167868077
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
4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 143260927
5-ethyl-4-(3-ethyl-3-phenylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167869276

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 177211750) is 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCC12CC1CN(c1ncnc3[nH]cc(C#N)c13)C2.
What is the InChIKey of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is OKOHUVGAALMMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-14-3-10(14)6-19(7-14)13-11-9(4-15)5-16-12(11)17-8-18-13/h5,8,10H,2-3,6-7H2,1H3,(H,16,17,18).
What are the key properties of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 177211750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).