2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid

C14H14N4O6S — CID 153298412

IUPAC2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid
SMILESNC(=O)c1nn(CC(=O)O)c2cc(C(=O)NS(=O)(=O)C3CC3)ccc12
InChIInChI=1S/C14H14N4O6S/c15-13(21)12-9-4-1-7(5-10(9)18(16-12)6-11(19)20)14(22)17-25(23,24)8-2-3-8/h1,4-5,8H,2-3,6H2,(H2,15,21)(H,17,22)(H,19,20)
InChIKeyAEFRZQUOCQEWBM-UHFFFAOYSA-N
MW366.36 g/mol
LogP-0.56
Rot. Bonds6

About 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid

2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid (PubChem CID 153298412) has the molecular formula C14H14N4O6S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid
PubChem CID153298412
Molecular FormulaC14H14N4O6S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid
SMILESNC(=O)c1nn(CC(=O)O)c2cc(C(=O)NS(=O)(=O)C3CC3)ccc12
InChIInChI=1S/C14H14N4O6S/c15-13(21)12-9-4-1-7(5-10(9)18(16-12)6-11(19)20)14(22)17-25(23,24)8-2-3-8/h1,4-5,8H,2-3,6H2,(H2,15,21)(H,17,22)(H,19,20)
InChIKeyAEFRZQUOCQEWBM-UHFFFAOYSA-N
XLogP-0.56
TPSA161.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid
CID 118324897
N-cyclopropylsulfonyl-1-methylindole-6-carboxamide
CID 155553847
18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(1R,3S,5R)-3-[(6-bromo-3-methyl-2-pyridinyl)carbamoyl]-2-[2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 142420737
ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate
CID 138636354
N-cyclopropylsulfonyl-1-methyl-3-[(1R,3S)-3-methylcyclopentyl]indole-6-carboxamide
CID 155538889
3-bromo-N-cyclopropylsulfonylbenzamide
CID 137332040
2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
CID 170857578
3-[1-[2-chloro-4-(trifluoromethyl)phenyl]azetidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
CID 155671189
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylacetamide;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[(1S)-2-[(3-chloro-2-fluorophenyl)methylamino]-1-cyclopropyl-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 161464323
N-(oxan-4-ylsulfonyl)benzamide
CID 47479884
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
CID 71009624
4-[3-(cyclopropylsulfonylamino)prop-1-ynyl]benzamide
CID 90553482

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid (CID 153298412) is 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid is NC(=O)c1nn(CC(=O)O)c2cc(C(=O)NS(=O)(=O)C3CC3)ccc12.
What is the InChIKey of 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid?
The InChIKey is AEFRZQUOCQEWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O6S/c15-13(21)12-9-4-1-7(5-10(9)18(16-12)6-11(19)20)14(22)17-25(23,24)8-2-3-8/h1,4-5,8H,2-3,6H2,(H2,15,21)(H,17,22)(H,19,20).
What are the key properties of 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid?
2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid has a molecular weight of 366.36 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbamoyl-6-(cyclopropylsulfonylcarbamoyl)indazol-1-yl]acetic acid is sourced from PubChem (CID 153298412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).