[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

C17H19N9O — CID 142497937

IUPAC[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccn[nH]3)cn2)c2cccn2n1
InChIInChI=1S/C17H19N9O/c27-10-12-3-1-7-25(12)17-21-16(13-4-2-8-26(13)23-17)20-14-9-24(11-18-14)15-5-6-19-22-15/h2,4-6,8-9,11-12,27H,1,3,7,10H2,(H,19,22)(H,20,21,23)/t12-/m0/s1
InChIKeyIIMAFTFXELHLTL-LBPRGKRZSA-N
MW365.40 g/mol
LogP1.34
Rot. Bonds5

About [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 142497937) has the molecular formula C17H19N9O and a molecular weight of 365.40 g/mol. Its IUPAC name is [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)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-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID142497937
Molecular FormulaC17H19N9O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccn[nH]3)cn2)c2cccn2n1
InChIInChI=1S/C17H19N9O/c27-10-12-3-1-7-25(12)17-21-16(13-4-2-8-26(13)23-17)20-14-9-24(11-18-14)15-5-6-19-22-15/h2,4-6,8-9,11-12,27H,1,3,7,10H2,(H,19,22)(H,20,21,23)/t12-/m0/s1
InChIKeyIIMAFTFXELHLTL-LBPRGKRZSA-N
XLogP1.34
TPSA112.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)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-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 142497937) is [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)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-(1H-pyrazol-5-yl)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-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccn[nH]3)cn2)c2cccn2n1.
What is the InChIKey of [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is IIMAFTFXELHLTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N9O/c27-10-12-3-1-7-25(12)17-21-16(13-4-2-8-26(13)23-17)20-14-9-24(11-18-14)15-5-6-19-22-15/h2,4-6,8-9,11-12,27H,1,3,7,10H2,(H,19,22)(H,20,21,23)/t12-/m0/s1.
What are the key properties of [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 365.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142497937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).