7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C22H21N7O — CID 145039452

IUPAC7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc3c2N=NC3CCCc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C22H21N7O/c23-19-12-18(21-22(24-19)28-29-27-21)30-13-15-9-5-10-16-17(25-26-20(15)16)11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-10,12,17H,4,8,11,13H2,(H3,23,24,27,28,29)
InChIKeyACNJVFJUIYALRB-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.68
Rot. Bonds7

About 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145039452) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145039452
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc3c2N=NC3CCCc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C22H21N7O/c23-19-12-18(21-22(24-19)28-29-27-21)30-13-15-9-5-10-16-17(25-26-20(15)16)11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-10,12,17H,4,8,11,13H2,(H3,23,24,27,28,29)
InChIKeyACNJVFJUIYALRB-UHFFFAOYSA-N
XLogP4.68
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648893
7-[[3-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649084
7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649071
7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950021
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
CID 126648880
7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676489
7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 155112998
7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 140901817
7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 159251011
7-[(2-methyl-4-pyridin-3-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 160912493

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145039452) is 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc3c2N=NC3CCCc2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ACNJVFJUIYALRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-19-12-18(21-22(24-19)28-29-27-21)30-13-15-9-5-10-16-17(25-26-20(15)16)11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-10,12,17H,4,8,11,13H2,(H3,23,24,27,28,29).
What are the key properties of 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 399.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145039452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).