2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide

C18H18ClN7O — CID 138522528

IUPAC2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
SMILESCNC(=O)c1ccc2c(Cl)c(-c3nc(C(C)C)n4ncnc(N)c34)[nH]c2c1
InChIInChI=1S/C18H18ClN7O/c1-8(2)17-25-14(15-16(20)22-7-23-26(15)17)13-12(19)10-5-4-9(18(27)21-3)6-11(10)24-13/h4-8,24H,1-3H3,(H,21,27)(H2,20,22,23)
InChIKeyVYARLCVNNHTNAM-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.99
Rot. Bonds3

About 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide

2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide (PubChem CID 138522528) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
PubChem CID138522528
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
SMILESCNC(=O)c1ccc2c(Cl)c(-c3nc(C(C)C)n4ncnc(N)c34)[nH]c2c1
InChIInChI=1S/C18H18ClN7O/c1-8(2)17-25-14(15-16(20)22-7-23-26(15)17)13-12(19)10-5-4-9(18(27)21-3)6-11(10)24-13/h4-8,24H,1-3H3,(H,21,27)(H2,20,22,23)
InChIKeyVYARLCVNNHTNAM-UHFFFAOYSA-N
XLogP2.99
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
The IUPAC name of 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide (CID 138522528) is 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide.
What is the SMILES notation for 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
The canonical SMILES for 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide is CNC(=O)c1ccc2c(Cl)c(-c3nc(C(C)C)n4ncnc(N)c34)[nH]c2c1.
What is the InChIKey of 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
The InChIKey is VYARLCVNNHTNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c1-8(2)17-25-14(15-16(20)22-7-23-26(15)17)13-12(19)10-5-4-9(18(27)21-3)6-11(10)24-13/h4-8,24H,1-3H3,(H,21,27)(H2,20,22,23).
What are the key properties of 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 138522528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).