1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine

C25H23N7 — CID 140802619

IUPAC1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCn1nc(CN(Cc2[nH]nc3ccccc23)Cc2[nH]nc3ccccc23)c2ccccc21
InChIInChI=1S/C25H23N7/c1-31-25-13-7-4-10-19(25)24(30-31)16-32(14-22-17-8-2-5-11-20(17)26-28-22)15-23-18-9-3-6-12-21(18)27-29-23/h2-13H,14-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyHTGMCEOFKOREAQ-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.53
Rot. Bonds6

About 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine

1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine (PubChem CID 140802619) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine
PubChem CID140802619
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCn1nc(CN(Cc2[nH]nc3ccccc23)Cc2[nH]nc3ccccc23)c2ccccc21
InChIInChI=1S/C25H23N7/c1-31-25-13-7-4-10-19(25)24(30-31)16-32(14-22-17-8-2-5-11-20(17)26-28-22)15-23-18-9-3-6-12-21(18)27-29-23/h2-13H,14-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyHTGMCEOFKOREAQ-UHFFFAOYSA-N
XLogP4.53
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
N-(1-benzylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 9900683
6-(pyrrolidin-1-yl)-3-styryl-1H-indazol-5-amine
CID 16730501
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
N-(1-Benzylpiperidin-3-yl)-3-methyl-2H-indazol-5-amine
CID 44421899
5-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 53320263
5-(4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 53323614
3-Ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
CID 53379389
3-(1h-Indol-2-yl)-1h-indazole
CID 135409238
3-(6-methyl-1H-indol-2-yl)-N-3-pyrrolidinyl-1H-Indazol-5-amine
CID 136059157

Frequently Asked Questions

What is the IUPAC name of 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine (CID 140802619) is 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine is Cn1nc(CN(Cc2[nH]nc3ccccc23)Cc2[nH]nc3ccccc23)c2ccccc21.
What is the InChIKey of 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The InChIKey is HTGMCEOFKOREAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7/c1-31-25-13-7-4-10-19(25)24(30-31)16-32(14-22-17-8-2-5-11-20(17)26-28-22)15-23-18-9-3-6-12-21(18)27-29-23/h2-13H,14-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine has a molecular weight of 421.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine is sourced from PubChem (CID 140802619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).