1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea

C26H30N6O5S — CID 163426438

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea
SMILESCC1C=CC=C(NC(=O)NCC(=O)n2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cn2)C1
InChIInChI=1S/C26H30N6O5S/c1-16-5-2-8-19(11-16)29-25(34)27-14-23(33)32-15-20(13-28-32)38(36,37)31-26(35)30-24-21-9-3-6-17(21)12-18-7-4-10-22(18)24/h2,5,8,12-13,15-16H,3-4,6-7,9-11,14H2,1H3,(H2,27,29,34)(H2,30,31,35)
InChIKeyAMXRCWWGBYNCNE-UHFFFAOYSA-N
MW538.63 g/mol
LogP2.79
Rot. Bonds6

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea (PubChem CID 163426438) has the molecular formula C26H30N6O5S and a molecular weight of 538.63 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea
PubChem CID163426438
Molecular FormulaC26H30N6O5S
Molecular Weight538.63 g/mol
Exact Mass538.20
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea
SMILESCC1C=CC=C(NC(=O)NCC(=O)n2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cn2)C1
InChIInChI=1S/C26H30N6O5S/c1-16-5-2-8-19(11-16)29-25(34)27-14-23(33)32-15-20(13-28-32)38(36,37)31-26(35)30-24-21-9-3-6-17(21)12-18-7-4-10-22(18)24/h2,5,8,12-13,15-16H,3-4,6-7,9-11,14H2,1H3,(H2,27,29,34)(H2,30,31,35)
InChIKeyAMXRCWWGBYNCNE-UHFFFAOYSA-N
XLogP2.79
TPSA151.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-acetylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142478790
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6R)-6-(methylaminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
CID 170014232
CID 175710616
CID 175710616
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]urea
CID 170689309
CID 175825031
CID 175825031
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-N-methylacetamide
CID 162654807
CID 175753183
CID 175753183
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135240787
1-[1-cyclopropyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159265974
1-[[1-[2-(dimethylamino)ethyl]-6-oxo-3-pyridinyl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402954

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea (CID 163426438) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea is CC1C=CC=C(NC(=O)NCC(=O)n2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cn2)C1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea?
The InChIKey is AMXRCWWGBYNCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5S/c1-16-5-2-8-19(11-16)29-25(34)27-14-23(33)32-15-20(13-28-32)38(36,37)31-26(35)30-24-21-9-3-6-17(21)12-18-7-4-10-22(18)24/h2,5,8,12-13,15-16H,3-4,6-7,9-11,14H2,1H3,(H2,27,29,34)(H2,30,31,35).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea has a molecular weight of 538.63 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[2-[(5-methylcyclohexa-1,3-dien-1-yl)carbamoylamino]acetyl]pyrazol-4-yl]sulfonylurea is sourced from PubChem (CID 163426438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).