oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

C23H32N4O6 — CID 171354359

IUPACoxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(C3CCOCC3)CC2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C21H30N4O2.C2H2O4/c1-15(2)25-19-6-4-3-5-18(19)20(23-25)21(26)22-16-7-11-24(12-8-16)17-9-13-27-14-10-17;3-1(4)2(5)6/h3-6,15-17H,7-14H2,1-2H3,(H,22,26);(H,3,4)(H,5,6)
InChIKeyMYZMULWSDUCKMK-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.15
Rot. Bonds4

About oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 171354359) has the molecular formula C23H32N4O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound Nameoxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID171354359
Molecular FormulaC23H32N4O6
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC Nameoxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(C3CCOCC3)CC2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C21H30N4O2.C2H2O4/c1-15(2)25-19-6-4-3-5-18(19)20(23-25)21(26)22-16-7-11-24(12-8-16)17-9-13-27-14-10-17;3-1(4)2(5)6/h3-6,15-17H,7-14H2,1-2H3,(H,22,26);(H,3,4)(H,5,6)
InChIKeyMYZMULWSDUCKMK-UHFFFAOYSA-N
XLogP2.15
TPSA133.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxybutanedioic acid;N-[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171352575
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171346845
N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829648
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
(2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
CID 67270268
N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 159837138
N-[8-[[4-(methylideneamino)morpholin-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 147131950
(2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
CID 67270165

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (CID 171354359) is oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2CCN(C3CCOCC3)CC2)c2ccccc21.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is MYZMULWSDUCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.C2H2O4/c1-15(2)25-19-6-4-3-5-18(19)20(23-25)21(26)22-16-7-11-24(12-8-16)17-9-13-27-14-10-17;3-1(4)2(5)6/h3-6,15-17H,7-14H2,1-2H3,(H,22,26);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 171354359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).