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

C16H22ClN5O2 — CID 119472161

IUPACN-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC1CNCCN1C(=O)CCNC(=O)c1n[nH]c2ccccc12.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-11-10-17-8-9-21(11)14(22)6-7-18-16(23)15-12-4-2-3-5-13(12)19-20-15;/h2-5,11,17H,6-10H2,1H3,(H,18,23)(H,19,20);1H
InChIKeyWBZQEWMJGWXRRU-UHFFFAOYSA-N
MW351.84 g/mol
LogP0.92
Rot. Bonds4

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

N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119472161) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119472161
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC NameN-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC1CNCCN1C(=O)CCNC(=O)c1n[nH]c2ccccc12.Cl
InChIInChI=1S/C16H21N5O2.ClH/c1-11-10-17-8-9-21(11)14(22)6-7-18-16(23)15-12-4-2-3-5-13(12)19-20-15;/h2-5,11,17H,6-10H2,1H3,(H,18,23)(H,19,20);1H
InChIKeyWBZQEWMJGWXRRU-UHFFFAOYSA-N
XLogP0.92
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119473598
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119545241
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119472846
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 120814162
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120599389
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858557
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (CID 119472161) is N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is CC1CNCCN1C(=O)CCNC(=O)c1n[nH]c2ccccc12.Cl.
What is the InChIKey of N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is WBZQEWMJGWXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.ClH/c1-11-10-17-8-9-21(11)14(22)6-7-18-16(23)15-12-4-2-3-5-13(12)19-20-15;/h2-5,11,17H,6-10H2,1H3,(H,18,23)(H,19,20);1H.
What are the key properties of N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 351.84 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119472161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).