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

C19H20N8O — CID 142498007

IUPAC[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccncc3)cn2)c2cccn2n1
InChIInChI=1S/C19H20N8O/c28-12-15-3-1-9-26(15)19-23-18(16-4-2-10-27(16)24-19)22-17-11-25(13-21-17)14-5-7-20-8-6-14/h2,4-8,10-11,13,15,28H,1,3,9,12H2,(H,22,23,24)/t15-/m0/s1
InChIKeyLMKZFWFUDWPVDX-HNNXBMFYSA-N
MW376.42 g/mol
LogP2.01
Rot. Bonds5

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

[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 142498007) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID142498007
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccncc3)cn2)c2cccn2n1
InChIInChI=1S/C19H20N8O/c28-12-15-3-1-9-26(15)19-23-18(16-4-2-10-27(16)24-19)22-17-11-25(13-21-17)14-5-7-20-8-6-14/h2,4-8,10-11,13,15,28H,1,3,9,12H2,(H,22,23,24)/t15-/m0/s1
InChIKeyLMKZFWFUDWPVDX-HNNXBMFYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 142498007) is [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccncc3)cn2)c2cccn2n1.
What is the InChIKey of [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is LMKZFWFUDWPVDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N8O/c28-12-15-3-1-9-26(15)19-23-18(16-4-2-10-27(16)24-19)22-17-11-25(13-21-17)14-5-7-20-8-6-14/h2,4-8,10-11,13,15,28H,1,3,9,12H2,(H,22,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-[(1-pyridin-4-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 [(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142498007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).