N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride

C18H26ClN5O2 — CID 120814935

IUPACN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-11(17(25)23-9-8-14(19)18(2,3)10-23)20-16(24)15-12-6-4-5-7-13(12)21-22-15;/h4-7,11,14H,8-10,19H2,1-3H3,(H,20,24)(H,21,22);1H
InChIKeyCXUFPAFPZGAVCE-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.69
Rot. Bonds3

About N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 120814935) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID120814935
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC NameN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-11(17(25)23-9-8-14(19)18(2,3)10-23)20-16(24)15-12-6-4-5-7-13(12)21-22-15;/h4-7,11,14H,8-10,19H2,1-3H3,(H,20,24)(H,21,22);1H
InChIKeyCXUFPAFPZGAVCE-UHFFFAOYSA-N
XLogP1.69
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 120814936
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 120814162
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119652161
N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119473598
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120820062
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 52519497
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 120820317
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride (CID 120814935) is N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is CXUFPAFPZGAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-11(17(25)23-9-8-14(19)18(2,3)10-23)20-16(24)15-12-6-4-5-7-13(12)21-22-15;/h4-7,11,14H,8-10,19H2,1-3H3,(H,20,24)(H,21,22);1H.
What are the key properties of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120814935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).