[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

C20H22N8O — CID 142498160

IUPAC[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)ccn1
InChIInChI=1S/C20H22N8O/c1-14-10-15(6-7-21-14)26-11-18(22-13-26)23-19-17-5-3-9-28(17)25-20(24-19)27-8-2-4-16(27)12-29/h3,5-7,9-11,13,16,29H,2,4,8,12H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeySAHHJUQZCALJGQ-INIZCTEOSA-N
MW390.45 g/mol
LogP2.32
Rot. Bonds5

About [(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 142498160) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is [(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-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-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID142498160
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)ccn1
InChIInChI=1S/C20H22N8O/c1-14-10-15(6-7-21-14)26-11-18(22-13-26)23-19-17-5-3-9-28(17)25-20(24-19)27-8-2-4-16(27)12-29/h3,5-7,9-11,13,16,29H,2,4,8,12H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeySAHHJUQZCALJGQ-INIZCTEOSA-N
XLogP2.32
TPSA96.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-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-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 142498160) is [(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-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-(2-methyl-4-pyridinyl)imidazol-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-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is Cc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)ccn1.
What is the InChIKey of [(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SAHHJUQZCALJGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N8O/c1-14-10-15(6-7-21-14)26-11-18(22-13-26)23-19-17-5-3-9-28(17)25-20(24-19)27-8-2-4-16(27)12-29/h3,5-7,9-11,13,16,29H,2,4,8,12H2,1H3,(H,23,24,25)/t16-/m0/s1.
What are the key properties of [(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-[[1-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 390.45 g/mol, XLogP of 2.32, 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-(2-methyl-4-pyridinyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142498160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).