2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile

C14H13N5 — CID 1477616

IUPAC2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile
SMILESCc1cc(C)c2c(-n3cccc3)nn(CC#N)c2n1
InChIInChI=1S/C14H13N5/c1-10-9-11(2)16-13-12(10)14(17-19(13)8-5-15)18-6-3-4-7-18/h3-4,6-7,9H,8H2,1-2H3
InChIKeyAGNYBDJTTMPFHC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.36
Rot. Bonds2

About 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile

2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile (PubChem CID 1477616) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile
PubChem CID1477616
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile
SMILESCc1cc(C)c2c(-n3cccc3)nn(CC#N)c2n1
InChIInChI=1S/C14H13N5/c1-10-9-11(2)16-13-12(10)14(17-19(13)8-5-15)18-6-3-4-7-18/h3-4,6-7,9H,8H2,1-2H3
InChIKeyAGNYBDJTTMPFHC-UHFFFAOYSA-N
XLogP2.36
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile?
The IUPAC name of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile (CID 1477616) is 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile?
The canonical SMILES for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile is Cc1cc(C)c2c(-n3cccc3)nn(CC#N)c2n1.
What is the InChIKey of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile?
The InChIKey is AGNYBDJTTMPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-10-9-11(2)16-13-12(10)14(17-19(13)8-5-15)18-6-3-4-7-18/h3-4,6-7,9H,8H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile?
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile is sourced from PubChem (CID 1477616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).