2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane

C31H36N6O2S — CID 177027023

About 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane

2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane (PubChem CID 177027023) has the molecular formula C31H36N6O2S and a molecular weight of 556.74 g/mol. Its IUPAC name is 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane
• PubChem CID: 177027023
• Molecular Formula: C31H36N6O2S
• Molecular Weight: 556.74 g/mol
• Exact Mass: 556.26
• IUPAC Name: 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane
• SMILES: CC.Cc1ccc2c(cnn2C2CCCCO2)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(Cc3ccsc3)c21
• InChI: InChI=1S/C29H30N6O2S.C2H6/c1-16-5-8-22-20(14-33-35(22)23-4-2-3-10-37-23)26(16)34-27-19(12-17-9-11-38-15-17)25(18-6-7-18)32-13-21(27)24(28(34)30)29(31)36;1-2/h5,8-9,11,13-15,18,23H,2-4,6-7,10,12,30H2,1H3,(H2,31,36);1-2H3
• InChIKey: SLTCSNWXWFTLPM-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 113.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.74
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?

The IUPAC name of 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane (CID 177027023) is 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane.

What is the SMILES notation for 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?

The canonical SMILES for 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane is CC.Cc1ccc2c(cnn2C2CCCCO2)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(Cc3ccsc3)c21.

What is the InChIKey of 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?

The InChIKey is SLTCSNWXWFTLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2S.C2H6/c1-16-5-8-22-20(14-33-35(22)23-4-2-3-10-37-23)26(16)34-27-19(12-17-9-11-38-15-17)25(18-6-7-18)32-13-21(27)24(28(34)30)29(31)36;1-2/h5,8-9,11,13-15,18,23H,2-4,6-7,10,12,30H2,1H3,(H2,31,36);1-2H3.

What are the key properties of 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?

2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane has a molecular weight of 556.74 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-7-(thiophen-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 177027023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).