sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C44H57N10NaO6S2 — CID 158124353

IUPACsodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCC(c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.CC(c1cc(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.[Na+]
InChIInChI=1S/2C22H29N5O3S.Na/c2*1-14(27-10-5-11-27)19-13-20(24-26(19)2)31(29,30)25-22(28)23-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21;/h2*12-14H,3-11H2,1-2H3,(H2,23,25,28);/q;;+1/p-1
InChIKeyFRZBHINQSAUTTR-UHFFFAOYSA-M
MW909.13 g/mol
LogP3.14
Rot. Bonds10

About sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 158124353) has the molecular formula C44H57N10NaO6S2 and a molecular weight of 909.13 g/mol. Its IUPAC name is sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Namesodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID158124353
Molecular FormulaC44H57N10NaO6S2
Molecular Weight909.13 g/mol
Exact Mass908.38
IUPAC Namesodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCC(c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.CC(c1cc(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.[Na+]
InChIInChI=1S/2C22H29N5O3S.Na/c2*1-14(27-10-5-11-27)19-13-20(24-26(19)2)31(29,30)25-22(28)23-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21;/h2*12-14H,3-11H2,1-2H3,(H2,23,25,28);/q;;+1/p-1
InChIKeyFRZBHINQSAUTTR-UHFFFAOYSA-M
XLogP3.14
TPSA194.73 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.13
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea with MolForge

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Related Compounds

CID 175825067
CID 175825067
5-[1-(azetidin-1-yl)ethyl]-1-cyclopropylpyrazole-3-sulfonamide;1-[5-[1-(azetidin-1-yl)ethyl]-1-cyclopropylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 161229298
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide
CID 137499517
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea
CID 151762647
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
CID 142587969
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
CID 122480744
CID 175825031
CID 175825031
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-bis(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 137499616
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 171783935
CID 175753183
CID 175753183

Frequently Asked Questions

What is the IUPAC name of sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 158124353) is sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CC(c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.CC(c1cc(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)N1CCC1.[Na+].
What is the InChIKey of sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is FRZBHINQSAUTTR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C22H29N5O3S.Na/c2*1-14(27-10-5-11-27)19-13-20(24-26(19)2)31(29,30)25-22(28)23-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21;/h2*12-14H,3-11H2,1-2H3,(H2,23,25,28);/q;;+1/p-1.
What are the key properties of sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 909.13 g/mol, XLogP of 3.14, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;1-[5-[1-(azetidin-1-yl)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 158124353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).