2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile

C21H19N7 — CID 177026987

IUPAC2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESC=C(N)c1c(N)n(-c2c(C)ccc3[nH]ncc23)c2c(C#N)c(C3CC3)ncc12
InChIInChI=1S/C21H19N7/c1-10-3-6-16-14(9-26-27-16)19(10)28-20-13(7-22)18(12-4-5-12)25-8-15(20)17(11(2)23)21(28)24/h3,6,8-9,12H,2,4-5,23-24H2,1H3,(H,26,27)
InChIKeyISTRGYFCBICDBH-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.47
Rot. Bonds3

About 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile

2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile (PubChem CID 177026987) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile
PubChem CID177026987
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESC=C(N)c1c(N)n(-c2c(C)ccc3[nH]ncc23)c2c(C#N)c(C3CC3)ncc12
InChIInChI=1S/C21H19N7/c1-10-3-6-16-14(9-26-27-16)19(10)28-20-13(7-22)18(12-4-5-12)25-8-15(20)17(11(2)23)21(28)24/h3,6,8-9,12H,2,4-5,23-24H2,1H3,(H,26,27)
InChIKeyISTRGYFCBICDBH-UHFFFAOYSA-N
XLogP3.47
TPSA122.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile (CID 177026987) is 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile is C=C(N)c1c(N)n(-c2c(C)ccc3[nH]ncc23)c2c(C#N)c(C3CC3)ncc12.
What is the InChIKey of 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile?
The InChIKey is ISTRGYFCBICDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-10-3-6-16-14(9-26-27-16)19(10)28-20-13(7-22)18(12-4-5-12)25-8-15(20)17(11(2)23)21(28)24/h3,6,8-9,12H,2,4-5,23-24H2,1H3,(H,26,27).
What are the key properties of 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile?
2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile has a molecular weight of 369.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-aminoethenyl)-6-cyclopropyl-1-(5-methyl-1H-indazol-4-yl)pyrrolo[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 177026987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).