(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone

C16H20N4O — CID 49077810

IUPAC(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCN(C2CC2)CC1
InChIInChI=1S/C16H20N4O/c21-16(15-13-4-1-2-5-14(13)17-18-15)20-9-3-8-19(10-11-20)12-6-7-12/h1-2,4-5,12H,3,6-11H2,(H,17,18)
InChIKeyOCFCGIIBANTHQS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.87
Rot. Bonds2

About (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone

(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone (PubChem CID 49077810) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
PubChem CID49077810
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCN(C2CC2)CC1
InChIInChI=1S/C16H20N4O/c21-16(15-13-4-1-2-5-14(13)17-18-15)20-9-3-8-19(10-11-20)12-6-7-12/h1-2,4-5,12H,3,6-11H2,(H,17,18)
InChIKeyOCFCGIIBANTHQS-UHFFFAOYSA-N
XLogP1.87
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31909611
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821
1-[4-[(4S,5S)-5-hydroxy-1-(1H-indazole-3-carbonyl)azepan-4-yl]piperazin-1-yl]ethanone
CID 110158896
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]cyclohexane-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 173210178
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
CID 155946339

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone?
The IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone (CID 49077810) is (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone.
What is the SMILES notation for (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone?
The canonical SMILES for (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone?
The InChIKey is OCFCGIIBANTHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(15-13-4-1-2-5-14(13)17-18-15)20-9-3-8-19(10-11-20)12-6-7-12/h1-2,4-5,12H,3,6-11H2,(H,17,18).
What are the key properties of (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone?
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 49077810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).