4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol

C19H19FN6O — CID 58494346

IUPAC4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol
SMILESOCCCC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2cccn2n1
InChIInChI=1S/C19H19FN6O/c20-14-7-5-13(6-8-14)15(3-2-12-27)18-23-19(22-17-9-10-21-24-17)16-4-1-11-26(16)25-18/h1,4-11,15,27H,2-3,12H2,(H2,21,22,23,24,25)
InChIKeyPSVLEFCKXIGIAJ-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.24
Rot. Bonds7

About 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol

4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol (PubChem CID 58494346) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol
PubChem CID58494346
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol
SMILESOCCCC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2cccn2n1
InChIInChI=1S/C19H19FN6O/c20-14-7-5-13(6-8-14)15(3-2-12-27)18-23-19(22-17-9-10-21-24-17)16-4-1-11-26(16)25-18/h1,4-11,15,27H,2-3,12H2,(H2,21,22,23,24,25)
InChIKeyPSVLEFCKXIGIAJ-UHFFFAOYSA-N
XLogP3.24
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 86765994
(S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2-(3-fluorophenyl)ethanol (17)
CID 86766000
CID 138105936
CID 138105936
N-((5-(3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497849
Elenestinib
CID 155190269
(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
CID 86765993
4-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]butan-1-ol
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3-[(2-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9836304
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705990
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705991
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
1-Propanol, 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)aMino]-2-pyriMidinyl][(6-fluoro-1H-indazol-4-yl)Methyl]aMino]-
CID 73356518

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol?
The IUPAC name of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol (CID 58494346) is 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol?
The canonical SMILES for 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol is OCCCC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2cccn2n1.
What is the InChIKey of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol?
The InChIKey is PSVLEFCKXIGIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-14-7-5-13(6-8-14)15(3-2-12-27)18-23-19(22-17-9-10-21-24-17)16-4-1-11-26(16)25-18/h1,4-11,15,27H,2-3,12H2,(H2,21,22,23,24,25).
What are the key properties of 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol?
4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol has a molecular weight of 366.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-[4-(1H-pyrazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]butan-1-ol is sourced from PubChem (CID 58494346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).