1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C16H26N4O — CID 70759251

IUPAC1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESNC1CCCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C16H26N4O/c17-12-5-3-4-10-20(11-12)16(21)9-8-15-13-6-1-2-7-14(13)18-19-15/h12H,1-11,17H2,(H,18,19)
InChIKeyCZOYWJZDJOHKOA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.56
Rot. Bonds3

About 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 70759251) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID70759251
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESNC1CCCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C16H26N4O/c17-12-5-3-4-10-20(11-12)16(21)9-8-15-13-6-1-2-7-14(13)18-19-15/h12H,1-11,17H2,(H,18,19)
InChIKeyCZOYWJZDJOHKOA-UHFFFAOYSA-N
XLogP1.56
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
(1R*,5R*)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133115596
3-{3-[(1S*,5R*)-3-acetyl-3,6-diazabicyclo[3.2.2]non-6-yl]-3-oxopropyl}-4,5,6,7-tetrahydro-1H-indazole
CID 133125682
3-{3-[(1R*,5R*)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-3-oxopropyl}-4,5,6,7-tetrahydro-1H-indazole
CID 133131427
3-{3-[(1R*,5R*)-3-(methylsulfonyl)-3,6-diazabicyclo[3.2.2]non-6-yl]-3-oxopropyl}-4,5,6,7-tetrahydro-1H-indazole
CID 133136626
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 70713403
(4-isopropylpiperazino)(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017432
3-(Piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazole
CID 53017445
(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72838660
1-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 72841210

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 70759251) is 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is NC1CCCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is CZOYWJZDJOHKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-12-5-3-4-10-20(11-12)16(21)9-8-15-13-6-1-2-7-14(13)18-19-15/h12H,1-11,17H2,(H,18,19).
What are the key properties of 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazepan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 70759251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).