N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid

C19H27N5O7S — CID 159837138

IUPACN-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
SMILESCC(C)n1nc(C(=O)N[C@@H]2CN[C@H](CNS(C)(=O)=O)C2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C17H25N5O3S.C2H2O4/c1-11(2)22-15-7-5-4-6-14(15)16(21-22)17(23)20-13-8-12(18-9-13)10-19-26(3,24)25;3-1(4)2(5)6/h4-7,11-13,18-19H,8-10H2,1-3H3,(H,20,23);(H,3,4)(H,5,6)/t12-,13-;/m0./s1
InChIKeyNOFMTRDAIHGLPC-QNTKWALQSA-N
MW469.52 g/mol
LogP-0.22
Rot. Bonds6

About N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid

N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid (PubChem CID 159837138) has the molecular formula C19H27N5O7S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
PubChem CID159837138
Molecular FormulaC19H27N5O7S
Molecular Weight469.52 g/mol
Exact Mass469.16
IUPAC NameN-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
SMILESCC(C)n1nc(C(=O)N[C@@H]2CN[C@H](CNS(C)(=O)=O)C2)c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C17H25N5O3S.C2H2O4/c1-11(2)22-15-7-5-4-6-14(15)16(21-22)17(23)20-13-8-12(18-9-13)10-19-26(3,24)25;3-1(4)2(5)6/h4-7,11-13,18-19H,8-10H2,1-3H3,(H,20,23);(H,3,4)(H,5,6)/t12-,13-;/m0./s1
InChIKeyNOFMTRDAIHGLPC-QNTKWALQSA-N
XLogP-0.22
TPSA179.72 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 5-0.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829633
N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 69085690
N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70314655
N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829632
N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829648
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67269772
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
(2S,4S)-2-[2-(dimethylamino)-2-oxoethyl]-4-[(1-propan-2-ylindazole-3-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 67270630
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?
The IUPAC name of N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid (CID 159837138) is N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid.
What is the SMILES notation for N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?
The canonical SMILES for N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid is CC(C)n1nc(C(=O)N[C@@H]2CN[C@H](CNS(C)(=O)=O)C2)c2ccccc21.O=C(O)C(=O)O.
What is the InChIKey of N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?
The InChIKey is NOFMTRDAIHGLPC-QNTKWALQSA-N. The full InChI is InChI=1S/C17H25N5O3S.C2H2O4/c1-11(2)22-15-7-5-4-6-14(15)16(21-22)17(23)20-13-8-12(18-9-13)10-19-26(3,24)25;3-1(4)2(5)6/h4-7,11-13,18-19H,8-10H2,1-3H3,(H,20,23);(H,3,4)(H,5,6)/t12-,13-;/m0./s1.
What are the key properties of N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?
N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid has a molecular weight of 469.52 g/mol, XLogP of -0.22, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid is sourced from PubChem (CID 159837138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).