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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-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
SMILESCC.Cc1ccc2c(cnn2C2CCCCO2)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(Cc3ccsc3)c21
InChIInChI=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
InChIKeySLTCSNWXWFTLPM-UHFFFAOYSA-N
MW556.74 g/mol
LogP6.62
Rot. Bonds6

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 Name2-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 CID177027023
Molecular FormulaC31H36N6O2S
Molecular Weight556.74 g/mol
Exact Mass556.26
IUPAC Name2-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
SMILESCC.Cc1ccc2c(cnn2C2CCCCO2)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(Cc3ccsc3)c21
InChIInChI=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
InChIKeySLTCSNWXWFTLPM-UHFFFAOYSA-N
XLogP6.62
TPSA113.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.74
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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).

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