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

C20H22N8 — CID 126675695

IUPAC7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(C4CCCN4)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C20H22N8/c21-18-9-16(19-20(24-18)26-27-25-19)8-14-10-23-28(12-14)11-13-3-1-4-15(7-13)17-5-2-6-22-17/h1,3-4,7,9-10,12,17,22H,2,5-6,8,11H2,(H3,21,24,25,26,27)
InChIKeyVCGWGLGPFCOMHH-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.20
Rot. Bonds5

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

7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126675695) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126675695
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(C4CCCN4)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C20H22N8/c21-18-9-16(19-20(24-18)26-27-25-19)8-14-10-23-28(12-14)11-13-3-1-4-15(7-13)17-5-2-6-22-17/h1,3-4,7,9-10,12,17,22H,2,5-6,8,11H2,(H3,21,24,25,26,27)
InChIKeyVCGWGLGPFCOMHH-UHFFFAOYSA-N
XLogP2.20
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126675695) is 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cnn(Cc3cccc(C4CCCN4)c3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is VCGWGLGPFCOMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c21-18-9-16(19-20(24-18)26-27-25-19)8-14-10-23-28(12-14)11-13-3-1-4-15(7-13)17-5-2-6-22-17/h1,3-4,7,9-10,12,17,22H,2,5-6,8,11H2,(H3,21,24,25,26,27).
What are the key properties of 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 374.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126675695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).