(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone

C14H19N5O — CID 63604993

IUPAC(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccc(N)cc23)CCN1C
InChIInChI=1S/C14H19N5O/c1-9-8-19(6-5-18(9)2)14(20)13-11-7-10(15)3-4-12(11)16-17-13/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyQYQDHABOWCVNCA-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds1

About (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone

(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 63604993) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID63604993
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccc(N)cc23)CCN1C
InChIInChI=1S/C14H19N5O/c1-9-8-19(6-5-18(9)2)14(20)13-11-7-10(15)3-4-12(11)16-17-13/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyQYQDHABOWCVNCA-UHFFFAOYSA-N
XLogP0.92
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 60905359
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605521
(4-amino-2-methylphenyl)-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 172578259
(5-amino-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604305
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062066

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 63604993) is (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2n[nH]c3ccc(N)cc23)CCN1C.
What is the InChIKey of (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is QYQDHABOWCVNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-8-19(6-5-18(9)2)14(20)13-11-7-10(15)3-4-12(11)16-17-13/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63604993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).