2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol

C19H19N7O2 — CID 58204320

IUPAC2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol
SMILESCc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)n[nH]1
InChIInChI=1S/C19H19N7O2/c1-12-21-18(24-23-12)16-11-25-5-7-28-17-8-13(2-3-15(17)19(25)22-16)14-9-20-26(10-14)4-6-27/h2-3,8-11,27H,4-7H2,1H3,(H,21,23,24)
InChIKeyDDRRVMBAHALKPP-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol

2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol (PubChem CID 58204320) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol
PubChem CID58204320
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol
SMILESCc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)n[nH]1
InChIInChI=1S/C19H19N7O2/c1-12-21-18(24-23-12)16-11-25-5-7-28-17-8-13(2-3-15(17)19(25)22-16)14-9-20-26(10-14)4-6-27/h2-3,8-11,27H,4-7H2,1H3,(H,21,23,24)
InChIKeyDDRRVMBAHALKPP-UHFFFAOYSA-N
XLogP1.89
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol
CID 58204851
2-[4-[2-(5-amino-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol
CID 58204343
9-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 123354906
2-[2-methyl-4-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]imidazol-1-yl]ethanol
CID 58204425
[1-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-yl]piperidin-4-yl]methanol
CID 67065825
2-[4-[2-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-8-yl]pyrazol-1-yl]ethanol
CID 58204036
5-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrimidin-2-amine
CID 58205022
4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-one
CID 58204209
(2S)-2-hydroxy-1-[3-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one
CID 58204703
methyl 3-[4-[2-[N-(1-aminoethylidene)-N'-propan-2-ylcarbamimidoyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]-2-methylpropanoate
CID 123241929
amino-[2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]methanol
CID 89460763
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol (CID 58204320) is 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol is Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)n[nH]1.
What is the InChIKey of 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol?
The InChIKey is DDRRVMBAHALKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-12-21-18(24-23-12)16-11-25-5-7-28-17-8-13(2-3-15(17)19(25)22-16)14-9-20-26(10-14)4-6-27/h2-3,8-11,27H,4-7H2,1H3,(H,21,23,24).
What are the key properties of 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol?
2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol has a molecular weight of 377.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 58204320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).