7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C21H18N8 — CID 126675532

IUPAC7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(-c4cccnc4)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C21H18N8/c22-19-9-18(20-21(25-19)27-28-26-20)8-15-10-24-29(13-15)12-14-3-1-4-16(7-14)17-5-2-6-23-11-17/h1-7,9-11,13H,8,12H2,(H3,22,25,26,27,28)
InChIKeyDIEXCTSYQAMGCO-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.83
Rot. Bonds5

About 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126675532) has the molecular formula C21H18N8 and a molecular weight of 382.43 g/mol. Its IUPAC name is 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126675532
Molecular FormulaC21H18N8
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(-c4cccnc4)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C21H18N8/c22-19-9-18(20-21(25-19)27-28-26-20)8-15-10-24-29(13-15)12-14-3-1-4-16(7-14)17-5-2-6-23-11-17/h1-7,9-11,13H,8,12H2,(H3,22,25,26,27,28)
InChIKeyDIEXCTSYQAMGCO-UHFFFAOYSA-N
XLogP2.83
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126675532) is 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cnn(Cc3cccc(-c4cccnc4)c3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DIEXCTSYQAMGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8/c22-19-9-18(20-21(25-19)27-28-26-20)8-15-10-24-29(13-15)12-14-3-1-4-16(7-14)17-5-2-6-23-11-17/h1-7,9-11,13H,8,12H2,(H3,22,25,26,27,28).
What are the key properties of 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 382.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126675532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).