5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide

C24H29N7O2 — CID 170010195

IUPAC5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide
SMILESCCCNC(=O)c1cn(CC)c2ccc(-c3ccn4nc(NC(=O)CN(C)C)nc4c3)cc12
InChIInChI=1S/C24H29N7O2/c1-5-10-25-23(33)19-14-30(6-2)20-8-7-16(12-18(19)20)17-9-11-31-21(13-17)26-24(28-31)27-22(32)15-29(3)4/h7-9,11-14H,5-6,10,15H2,1-4H3,(H,25,33)(H,27,28,32)
InChIKeySBAKUKCUOGYTEY-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.01
Rot. Bonds8

About 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide

5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide (PubChem CID 170010195) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide
PubChem CID170010195
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide
SMILESCCCNC(=O)c1cn(CC)c2ccc(-c3ccn4nc(NC(=O)CN(C)C)nc4c3)cc12
InChIInChI=1S/C24H29N7O2/c1-5-10-25-23(33)19-14-30(6-2)20-8-7-16(12-18(19)20)17-9-11-31-21(13-17)26-24(28-31)27-22(32)15-29(3)4/h7-9,11-14H,5-6,10,15H2,1-4H3,(H,25,33)(H,27,28,32)
InChIKeySBAKUKCUOGYTEY-UHFFFAOYSA-N
XLogP3.01
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide?
The IUPAC name of 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide (CID 170010195) is 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide.
What is the SMILES notation for 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide?
The canonical SMILES for 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide is CCCNC(=O)c1cn(CC)c2ccc(-c3ccn4nc(NC(=O)CN(C)C)nc4c3)cc12.
What is the InChIKey of 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide?
The InChIKey is SBAKUKCUOGYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-5-10-25-23(33)19-14-30(6-2)20-8-7-16(12-18(19)20)17-9-11-31-21(13-17)26-24(28-31)27-22(32)15-29(3)4/h7-9,11-14H,5-6,10,15H2,1-4H3,(H,25,33)(H,27,28,32).
What are the key properties of 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide?
5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethyl-N-propylindole-3-carboxamide is sourced from PubChem (CID 170010195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).