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

C23H22N8O — CID 137363404

IUPAC[(2S)-1-[4-[(1-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccnc4ccccc34)cn2)c2cccn2n1
InChIInChI=1S/C23H22N8O/c32-14-16-5-3-11-30(16)23-27-22(20-8-4-12-31(20)28-23)26-21-13-29(15-25-21)19-9-10-24-18-7-2-1-6-17(18)19/h1-2,4,6-10,12-13,15-16,32H,3,5,11,14H2,(H,26,27,28)/t16-/m0/s1
InChIKeyHUPDKZJXEFGFBY-INIZCTEOSA-N
MW426.48 g/mol
LogP3.17
Rot. Bonds5

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

[(2S)-1-[4-[(1-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 137363404) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is [(2S)-1-[4-[(1-quinolin-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-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID137363404
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name[(2S)-1-[4-[(1-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccnc4ccccc34)cn2)c2cccn2n1
InChIInChI=1S/C23H22N8O/c32-14-16-5-3-11-30(16)23-27-22(20-8-4-12-31(20)28-23)26-21-13-29(15-25-21)19-9-10-24-18-7-2-1-6-17(18)19/h1-2,4,6-10,12-13,15-16,32H,3,5,11,14H2,(H,26,27,28)/t16-/m0/s1
InChIKeyHUPDKZJXEFGFBY-INIZCTEOSA-N
XLogP3.17
TPSA96.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(2S)-1-[4-[(1-quinolin-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

Related Compounds

Pf-04217903
CID 17754438
Elenestinib
CID 155190269
(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
CID 155925935
US9266891, III-19
CID 90161075
2-[4-[3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 59341978
US10023576, Example 63
CID 130362847
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
c-Met-IN-2
CID 134694986
3-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137640338
2-[4-[3-[1-(5,7-Difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 141456400
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-3-amine
CID 24882198
2-[4-[8-Fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol
CID 122179432

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[(1-quinolin-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-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 137363404) is [(2S)-1-[4-[(1-quinolin-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-quinolin-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-quinolin-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(-c3ccnc4ccccc34)cn2)c2cccn2n1.
What is the InChIKey of [(2S)-1-[4-[(1-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is HUPDKZJXEFGFBY-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N8O/c32-14-16-5-3-11-30(16)23-27-22(20-8-4-12-31(20)28-23)26-21-13-29(15-25-21)19-9-10-24-18-7-2-1-6-17(18)19/h1-2,4,6-10,12-13,15-16,32H,3,5,11,14H2,(H,26,27,28)/t16-/m0/s1.
What are the key properties of [(2S)-1-[4-[(1-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-[(1-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 426.48 g/mol, XLogP of 3.17, 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-quinolin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).