5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide

C24H26N6O — CID 170010203

IUPAC5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CC2)c2cc(-c3ccn4nc(NC5CC5)nc4c3)ccc21
InChIInChI=1S/C24H26N6O/c1-2-29-14-20(23(31)25-13-15-3-4-15)19-11-16(5-8-21(19)29)17-9-10-30-22(12-17)27-24(28-30)26-18-6-7-18/h5,8-12,14-15,18H,2-4,6-7,13H2,1H3,(H,25,31)(H,26,28)
InChIKeyXECXAEKMFNNCJS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.09
Rot. Bonds7

About 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide

5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide (PubChem CID 170010203) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide
PubChem CID170010203
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CC2)c2cc(-c3ccn4nc(NC5CC5)nc4c3)ccc21
InChIInChI=1S/C24H26N6O/c1-2-29-14-20(23(31)25-13-15-3-4-15)19-11-16(5-8-21(19)29)17-9-10-30-22(12-17)27-24(28-30)26-18-6-7-18/h5,8-12,14-15,18H,2-4,6-7,13H2,1H3,(H,25,31)(H,26,28)
InChIKeyXECXAEKMFNNCJS-UHFFFAOYSA-N
XLogP4.09
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide?
The IUPAC name of 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide (CID 170010203) is 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide?
The canonical SMILES for 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide is CCn1cc(C(=O)NCC2CC2)c2cc(-c3ccn4nc(NC5CC5)nc4c3)ccc21.
What is the InChIKey of 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide?
The InChIKey is XECXAEKMFNNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-2-29-14-20(23(31)25-13-15-3-4-15)19-11-16(5-8-21(19)29)17-9-10-30-22(12-17)27-24(28-30)26-18-6-7-18/h5,8-12,14-15,18H,2-4,6-7,13H2,1H3,(H,25,31)(H,26,28).
What are the key properties of 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide?
5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(cyclopropylmethyl)-1-ethylindole-3-carboxamide is sourced from PubChem (CID 170010203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).