2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile

C24H23N7 — CID 177026934

IUPAC2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCc1ccc2c(cnn2C)c1-n1c(N)c(C#N)c2cnc(C3CC3)c(C=C3CNC3)c21
InChIInChI=1S/C24H23N7/c1-13-3-6-20-19(12-29-30(20)2)22(13)31-23-16(7-14-9-27-10-14)21(15-4-5-15)28-11-18(23)17(8-25)24(31)26/h3,6-7,11-12,15,27H,4-5,9-10,26H2,1-2H3
InChIKeyVVRGLRSPHXZPRR-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.54
Rot. Bonds3

About 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile

2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 177026934) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID177026934
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCc1ccc2c(cnn2C)c1-n1c(N)c(C#N)c2cnc(C3CC3)c(C=C3CNC3)c21
InChIInChI=1S/C24H23N7/c1-13-3-6-20-19(12-29-30(20)2)22(13)31-23-16(7-14-9-27-10-14)21(15-4-5-15)28-11-18(23)17(8-25)24(31)26/h3,6-7,11-12,15,27H,4-5,9-10,26H2,1-2H3
InChIKeyVVRGLRSPHXZPRR-UHFFFAOYSA-N
XLogP3.54
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 177026934) is 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile is Cc1ccc2c(cnn2C)c1-n1c(N)c(C#N)c2cnc(C3CC3)c(C=C3CNC3)c21.
What is the InChIKey of 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is VVRGLRSPHXZPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-13-3-6-20-19(12-29-30(20)2)22(13)31-23-16(7-14-9-27-10-14)21(15-4-5-15)28-11-18(23)17(8-25)24(31)26/h3,6-7,11-12,15,27H,4-5,9-10,26H2,1-2H3.
What are the key properties of 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 409.50 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(azetidin-3-ylidenemethyl)-6-cyclopropyl-1-(1,5-dimethylindazol-4-yl)pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 177026934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).