[1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

C19H20N8O — CID 137363146

IUPAC[1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1
InChIInChI=1S/C19H20N8O/c28-12-15-5-2-8-26(15)19-23-18(16-6-3-9-27(16)24-19)22-17-11-25(13-21-17)14-4-1-7-20-10-14/h1,3-4,6-7,9-11,13,15,28H,2,5,8,12H2,(H,22,23,24)
InChIKeyKUKOWDNYLKYQOG-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.01
Rot. Bonds5

About [1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 137363146) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is [1-[4-[(1-pyridin-3-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-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID137363146
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name[1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1
InChIInChI=1S/C19H20N8O/c28-12-15-5-2-8-26(15)19-23-18(16-6-3-9-27(16)24-19)22-17-11-25(13-21-17)14-4-1-7-20-10-14/h1,3-4,6-7,9-11,13,15,28H,2,5,8,12H2,(H,22,23,24)
InChIKeyKUKOWDNYLKYQOG-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-3-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-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 137363146) is [1-[4-[(1-pyridin-3-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-3-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-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1.
What is the InChIKey of [1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is KUKOWDNYLKYQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c28-12-15-5-2-8-26(15)19-23-18(16-6-3-9-27(16)24-19)22-17-11-25(13-21-17)14-4-1-7-20-10-14/h1,3-4,6-7,9-11,13,15,28H,2,5,8,12H2,(H,22,23,24).
What are the key properties of [1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-[(1-pyridin-3-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-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).