N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride

C16H22ClN5O2 — CID 119473598

IUPACN-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-10-9-17-7-8-21(10)16(23)11(2)18-15(22)14-12-5-3-4-6-13(12)19-20-14;/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,22)(H,19,20);1H
InChIKeyLFODGQJYKVHTCS-UHFFFAOYSA-N
MW351.84 g/mol
LogP0.92
Rot. Bonds3

About N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride

N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119473598) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119473598
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC NameN-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-10-9-17-7-8-21(10)16(23)11(2)18-15(22)14-12-5-3-4-6-13(12)19-20-14;/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,22)(H,19,20);1H
InChIKeyLFODGQJYKVHTCS-UHFFFAOYSA-N
XLogP0.92
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119652161
1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea
CID 119471640
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 120814935
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 120814936
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide
CID 43926474
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119473685
[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 120741702

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride (CID 119473598) is N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCNCC1C.Cl.
What is the InChIKey of N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is LFODGQJYKVHTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.ClH/c1-10-9-17-7-8-21(10)16(23)11(2)18-15(22)14-12-5-3-4-6-13(12)19-20-14;/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,22)(H,19,20);1H.
What are the key properties of N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 351.84 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119473598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).