7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine

C20H23FN4 — CID 154565387

IUPAC7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESFc1ccccc1CN1CCCN(Cc2cccc3ccnn23)CC1
InChIInChI=1S/C20H23FN4/c21-20-8-2-1-5-17(20)15-23-11-4-12-24(14-13-23)16-19-7-3-6-18-9-10-22-25(18)19/h1-3,5-10H,4,11-16H2
InChIKeyGUGFMHWEEIRVIH-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.18
Rot. Bonds4

About 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine

7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 154565387) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID154565387
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESFc1ccccc1CN1CCCN(Cc2cccc3ccnn23)CC1
InChIInChI=1S/C20H23FN4/c21-20-8-2-1-5-17(20)15-23-11-4-12-24(14-13-23)16-19-7-3-6-18-9-10-22-25(18)19/h1-3,5-10H,4,11-16H2
InChIKeyGUGFMHWEEIRVIH-UHFFFAOYSA-N
XLogP3.18
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126989798
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1-[(2-fluorophenyl)methyl]azepane;oxalic acid
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1-[(2-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 56890611
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
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1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
CID 80674131
4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine
CID 56881417
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
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CID 3501087

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 154565387) is 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine is Fc1ccccc1CN1CCCN(Cc2cccc3ccnn23)CC1.
What is the InChIKey of 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is GUGFMHWEEIRVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c21-20-8-2-1-5-17(20)15-23-11-4-12-24(14-13-23)16-19-7-3-6-18-9-10-22-25(18)19/h1-3,5-10H,4,11-16H2.
What are the key properties of 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine?
7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 338.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 154565387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).