1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone

C19H20N4O — CID 87045422

IUPAC1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCCCC1c1ccncc1
InChIInChI=1S/C19H20N4O/c24-19(16-6-4-5-15-13-21-22-18(15)16)23-12-3-1-2-7-17(23)14-8-10-20-11-9-14/h4-6,8-11,13,17H,1-3,7,12H2,(H,21,22)
InChIKeyYXARLZDVTRQLCH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.72
Rot. Bonds2

About 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone

1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone (PubChem CID 87045422) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
PubChem CID87045422
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCCCC1c1ccncc1
InChIInChI=1S/C19H20N4O/c24-19(16-6-4-5-15-13-21-22-18(15)16)23-12-3-1-2-7-17(23)14-8-10-20-11-9-14/h4-6,8-11,13,17H,1-3,7,12H2,(H,21,22)
InChIKeyYXARLZDVTRQLCH-UHFFFAOYSA-N
XLogP3.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84596747
[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 119468138
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CID 91661580
methyl 6-[(2S)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 96999470
methyl 6-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 94808535
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 124690233
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481
(3-bromo-2-chlorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 103993846
1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249820
(2-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone?
The IUPAC name of 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone (CID 87045422) is 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone.
What is the SMILES notation for 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone?
The canonical SMILES for 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone is O=C(c1cccc2cn[nH]c12)N1CCCCCC1c1ccncc1.
What is the InChIKey of 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone?
The InChIKey is YXARLZDVTRQLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(16-6-4-5-15-13-21-22-18(15)16)23-12-3-1-2-7-17(23)14-8-10-20-11-9-14/h4-6,8-11,13,17H,1-3,7,12H2,(H,21,22).
What are the key properties of 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone?
1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone is sourced from PubChem (CID 87045422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).