N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide

C24H30N6O2 — CID 154641154

IUPACN-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide
SMILESCOc1cc(-c2[nH]c3ccc(C(=O)N(C)CCN(C)C)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H30N6O2/c1-15(2)21-18-11-16(24(31)29(5)10-9-28(3)4)7-8-19(18)27-22(21)17-12-20(32-6)23-25-14-26-30(23)13-17/h7-8,11-15,27H,9-10H2,1-6H3
InChIKeyZBYJNZJPBBYLSS-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide (PubChem CID 154641154) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide
PubChem CID154641154
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide
SMILESCOc1cc(-c2[nH]c3ccc(C(=O)N(C)CCN(C)C)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H30N6O2/c1-15(2)21-18-11-16(24(31)29(5)10-9-28(3)4)7-8-19(18)27-22(21)17-12-20(32-6)23-25-14-26-30(23)13-17/h7-8,11-15,27H,9-10H2,1-6H3
InChIKeyZBYJNZJPBBYLSS-UHFFFAOYSA-N
XLogP3.64
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide (CID 154641154) is N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide is COc1cc(-c2[nH]c3ccc(C(=O)N(C)CCN(C)C)cc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
The InChIKey is ZBYJNZJPBBYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15(2)21-18-11-16(24(31)29(5)10-9-28(3)4)7-8-19(18)27-22(21)17-12-20(32-6)23-25-14-26-30(23)13-17/h7-8,11-15,27H,9-10H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methyl-3-propan-2-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 154641154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).