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N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide

C16H20N6O3S — CID 175971325

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ncc(C(=O)N(C)C)[nH]2)c2[nH]ncc2c1
InChIInChI=1S/C16H20N6O3S/c1-10-5-11-7-18-20-15(11)13(6-10)26(24,25)22(4)9-14-17-8-12(19-14)16(23)21(2)3/h5-8H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyBWZAMEPOZANRPP-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.12
Rot. Bonds5

About N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide

N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide (PubChem CID 175971325) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide
PubChem CID175971325
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC NameN,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ncc(C(=O)N(C)C)[nH]2)c2[nH]ncc2c1
InChIInChI=1S/C16H20N6O3S/c1-10-5-11-7-18-20-15(11)13(6-10)26(24,25)22(4)9-14-17-8-12(19-14)16(23)21(2)3/h5-8H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyBWZAMEPOZANRPP-UHFFFAOYSA-N
XLogP1.12
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide (CID 175971325) is N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide is Cc1cc(S(=O)(=O)N(C)Cc2ncc(C(=O)N(C)C)[nH]2)c2[nH]ncc2c1.
What is the InChIKey of N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is BWZAMEPOZANRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-10-5-11-7-18-20-15(11)13(6-10)26(24,25)22(4)9-14-17-8-12(19-14)16(23)21(2)3/h5-8H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide?
N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 175971325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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