1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol

C18H21N5O2 — CID 74230113

IUPAC1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol
SMILESOC1CN(Cc2ccc(-c3ccn[nH]3)o2)CCN(c2ccncc2)C1
InChIInChI=1S/C18H21N5O2/c24-15-11-22(9-10-23(12-15)14-3-6-19-7-4-14)13-16-1-2-18(25-16)17-5-8-20-21-17/h1-8,15,24H,9-13H2,(H,20,21)
InChIKeyWWNGILQNYXLSHD-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.75
Rot. Bonds4

About 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol

1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol (PubChem CID 74230113) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol
PubChem CID74230113
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol
SMILESOC1CN(Cc2ccc(-c3ccn[nH]3)o2)CCN(c2ccncc2)C1
InChIInChI=1S/C18H21N5O2/c24-15-11-22(9-10-23(12-15)14-3-6-19-7-4-14)13-16-1-2-18(25-16)17-5-8-20-21-17/h1-8,15,24H,9-13H2,(H,20,21)
InChIKeyWWNGILQNYXLSHD-UHFFFAOYSA-N
XLogP1.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol with MolForge

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Related Compounds

3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
CID 16192147
1-(4-fluorophenyl)-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}-1,4-diazepane
CID 56884532
US11365192, Example 29-1
CID 142526882
US11365192, Example 71-29
CID 156323923
US11365192, Example 71-14
CID 156324018
1-[(3-methylpyridin-2-yl)methyl]-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazine
CID 50953242
5-fluoro-2-(4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazin-1-yl)pyrimidine
CID 50981346
2,5-dimethyl-3-(4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazin-1-yl)pyrazine
CID 50982414
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53566927
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid
CID 56903304

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol?
The IUPAC name of 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol (CID 74230113) is 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol.
What is the SMILES notation for 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol?
The canonical SMILES for 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol is OC1CN(Cc2ccc(-c3ccn[nH]3)o2)CCN(c2ccncc2)C1.
What is the InChIKey of 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol?
The InChIKey is WWNGILQNYXLSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-15-11-22(9-10-23(12-15)14-3-6-19-7-4-14)13-16-1-2-18(25-16)17-5-8-20-21-17/h1-8,15,24H,9-13H2,(H,20,21).
What are the key properties of 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol?
1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol has a molecular weight of 339.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-pyridin-4-yl-1,4-diazepan-6-ol is sourced from PubChem (CID 74230113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).