6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide

C20H21N7O2 — CID 91818965

IUPAC6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3nnc4ccc(N5CCCC5)nn34)[nH]c2c1
InChIInChI=1S/C20H21N7O2/c1-29-14-5-4-13-10-16(22-15(13)11-14)20(28)21-12-19-24-23-17-6-7-18(25-27(17)19)26-8-2-3-9-26/h4-7,10-11,22H,2-3,8-9,12H2,1H3,(H,21,28)
InChIKeyVKRBRLSLISVRAT-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.14
Rot. Bonds5

About 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 91818965) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID91818965
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3nnc4ccc(N5CCCC5)nn34)[nH]c2c1
InChIInChI=1S/C20H21N7O2/c1-29-14-5-4-13-10-16(22-15(13)11-14)20(28)21-12-19-24-23-17-6-7-18(25-27(17)19)26-8-2-3-9-26/h4-7,10-11,22H,2-3,8-9,12H2,1H3,(H,21,28)
InChIKeyVKRBRLSLISVRAT-UHFFFAOYSA-N
XLogP2.14
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide (CID 91818965) is 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3nnc4ccc(N5CCCC5)nn34)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is VKRBRLSLISVRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-29-14-5-4-13-10-16(22-15(13)11-14)20(28)21-12-19-24-23-17-6-7-18(25-27(17)19)26-8-2-3-9-26/h4-7,10-11,22H,2-3,8-9,12H2,1H3,(H,21,28).
What are the key properties of 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91818965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).