5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H22N8 — CID 155534643

IUPAC5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCN1CCC(n2nccc2-c2cc(-c3cccnc3)n3ncnc(N)c23)CC1
InChIInChI=1S/C20H22N8/c1-26-9-5-15(6-10-26)27-17(4-8-24-27)16-11-18(14-3-2-7-22-12-14)28-19(16)20(21)23-13-25-28/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,21,23,25)
InChIKeyMDSONNHEKXVBRZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.50
Rot. Bonds3

About 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155534643) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155534643
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCN1CCC(n2nccc2-c2cc(-c3cccnc3)n3ncnc(N)c23)CC1
InChIInChI=1S/C20H22N8/c1-26-9-5-15(6-10-26)27-17(4-8-24-27)16-11-18(14-3-2-7-22-12-14)28-19(16)20(21)23-13-25-28/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,21,23,25)
InChIKeyMDSONNHEKXVBRZ-UHFFFAOYSA-N
XLogP2.50
TPSA90.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155534643) is 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CN1CCC(n2nccc2-c2cc(-c3cccnc3)n3ncnc(N)c23)CC1.
What is the InChIKey of 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MDSONNHEKXVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-26-9-5-15(6-10-26)27-17(4-8-24-27)16-11-18(14-3-2-7-22-12-14)28-19(16)20(21)23-13-25-28/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,21,23,25).
What are the key properties of 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 374.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155534643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).