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

C19H25N7O — CID 142498148

IUPAC[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(C3CCCC3)cn2)c2cccn2n1
InChIInChI=1S/C19H25N7O/c27-12-15-7-3-9-25(15)19-22-18(16-8-4-10-26(16)23-19)21-17-11-24(13-20-17)14-5-1-2-6-14/h4,8,10-11,13-15,27H,1-3,5-7,9,12H2,(H,21,22,23)/t15-/m0/s1
InChIKeyRXXGAYPGJZGFHT-HNNXBMFYSA-N
MW367.46 g/mol
LogP2.75
Rot. Bonds5

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

[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 142498148) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is [(2S)-1-[4-[(1-cyclopentylimidazol-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-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID142498148
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(C3CCCC3)cn2)c2cccn2n1
InChIInChI=1S/C19H25N7O/c27-12-15-7-3-9-25(15)19-22-18(16-8-4-10-26(16)23-19)21-17-11-24(13-20-17)14-5-1-2-6-14/h4,8,10-11,13-15,27H,1-3,5-7,9,12H2,(H,21,22,23)/t15-/m0/s1
InChIKeyRXXGAYPGJZGFHT-HNNXBMFYSA-N
XLogP2.75
TPSA83.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[(1-cyclopentylimidazol-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-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 142498148) is [(2S)-1-[4-[(1-cyclopentylimidazol-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-cyclopentylimidazol-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-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nc(Nc2cn(C3CCCC3)cn2)c2cccn2n1.
What is the InChIKey of [(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is RXXGAYPGJZGFHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N7O/c27-12-15-7-3-9-25(15)19-22-18(16-8-4-10-26(16)23-19)21-17-11-24(13-20-17)14-5-1-2-6-14/h4,8,10-11,13-15,27H,1-3,5-7,9,12H2,(H,21,22,23)/t15-/m0/s1.
What are the key properties of [(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 367.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[(1-cyclopentylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).