[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid

C18H16N4O5 — CID 177233031

IUPAC[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
SMILESO=C(O)Nc1ccc2[nH]nc(NC(=O)Cc3ccc4c(c3)OCCO4)c2c1
InChIInChI=1S/C18H16N4O5/c23-16(8-10-1-4-14-15(7-10)27-6-5-26-14)20-17-12-9-11(19-18(24)25)2-3-13(12)21-22-17/h1-4,7,9,19H,5-6,8H2,(H,24,25)(H2,20,21,22,23)
InChIKeyKNSYQMKQLQRWRA-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.61
Rot. Bonds4

About [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid

[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid (PubChem CID 177233031) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid.

Molecular Properties

Compound Name[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
PubChem CID177233031
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
SMILESO=C(O)Nc1ccc2[nH]nc(NC(=O)Cc3ccc4c(c3)OCCO4)c2c1
InChIInChI=1S/C18H16N4O5/c23-16(8-10-1-4-14-15(7-10)27-6-5-26-14)20-17-12-9-11(19-18(24)25)2-3-13(12)21-22-17/h1-4,7,9,19H,5-6,8H2,(H,24,25)(H2,20,21,22,23)
InChIKeyKNSYQMKQLQRWRA-UHFFFAOYSA-N
XLogP2.61
TPSA125.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
CID 177233354
N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(oxolan-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233438
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233074
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide
CID 177233337
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane
CID 177233360
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(4-methyl-1,3-thiazol-5-yl)-1H-indazol-3-yl]acetamide
CID 177233494

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid?
The IUPAC name of [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid (CID 177233031) is [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid.
What is the SMILES notation for [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid?
The canonical SMILES for [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid is O=C(O)Nc1ccc2[nH]nc(NC(=O)Cc3ccc4c(c3)OCCO4)c2c1.
What is the InChIKey of [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid?
The InChIKey is KNSYQMKQLQRWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c23-16(8-10-1-4-14-15(7-10)27-6-5-26-14)20-17-12-9-11(19-18(24)25)2-3-13(12)21-22-17/h1-4,7,9,19H,5-6,8H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid?
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid has a molecular weight of 368.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid is sourced from PubChem (CID 177233031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).