N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide

C18H17N5O — CID 118960206

IUPACN-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc4cnn(C)c4c3)c2c1
InChIInChI=1S/C18H17N5O/c1-19-18(24)12-5-6-15-14(9-12)16(22-21-15)7-11-3-4-13-10-20-23(2)17(13)8-11/h3-6,8-10H,7H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyKBXKPZZOWBAGTC-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide

N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide (PubChem CID 118960206) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide
PubChem CID118960206
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc4cnn(C)c4c3)c2c1
InChIInChI=1S/C18H17N5O/c1-19-18(24)12-5-6-15-14(9-12)16(22-21-15)7-11-3-4-13-10-20-23(2)17(13)8-11/h3-6,8-10H,7H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyKBXKPZZOWBAGTC-UHFFFAOYSA-N
XLogP2.40
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide (CID 118960206) is N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide is CNC(=O)c1ccc2n[nH]c(Cc3ccc4cnn(C)c4c3)c2c1.
What is the InChIKey of N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is KBXKPZZOWBAGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-19-18(24)12-5-6-15-14(9-12)16(22-21-15)7-11-3-4-13-10-20-23(2)17(13)8-11/h3-6,8-10H,7H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide?
N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118960206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).