[1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

C19H20N8O — CID 137363074

IUPAC[1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Nc2cn(-c3ccccn3)cn2)c2cccn2n1
InChIInChI=1S/C19H20N8O/c28-12-14-5-3-9-26(14)19-23-18(15-6-4-10-27(15)24-19)22-16-11-25(13-21-16)17-7-1-2-8-20-17/h1-2,4,6-8,10-11,13-14,28H,3,5,9,12H2,(H,22,23,24)
InChIKeyBQPUJOVZQNXUOH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.01
Rot. Bonds5

About [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 137363074) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID137363074
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name[1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Nc2cn(-c3ccccn3)cn2)c2cccn2n1
InChIInChI=1S/C19H20N8O/c28-12-14-5-3-9-26(14)19-23-18(15-6-4-10-27(15)24-19)22-16-11-25(13-21-16)17-7-1-2-8-20-17/h1-2,4,6-8,10-11,13-14,28H,3,5,9,12H2,(H,22,23,24)
InChIKeyBQPUJOVZQNXUOH-UHFFFAOYSA-N
XLogP2.01
TPSA96.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 137363074) is [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(Nc2cn(-c3ccccn3)cn2)c2cccn2n1.
What is the InChIKey of [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is BQPUJOVZQNXUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c28-12-14-5-3-9-26(14)19-23-18(15-6-4-10-27(15)24-19)22-16-11-25(13-21-16)17-7-1-2-8-20-17/h1-2,4,6-8,10-11,13-14,28H,3,5,9,12H2,(H,22,23,24).
What are the key properties of [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 376.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).