ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid

C25H34N4O5 — CID 155716332

IUPACethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid
SMILESCC.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C23H28N4O5.C2H6/c1-22(2,3)32-21(31)26-10-11-27-18(14-26)17(13-24-27)19(28)25(4)23(8-9-23)16-7-5-6-15(12-16)20(29)30;1-2/h5-7,12-13H,8-11,14H2,1-4H3,(H,29,30);1-2H3
InChIKeyGLTICRCGYNVHCP-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.12
Rot. Bonds4

About ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid

ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid (PubChem CID 155716332) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid.

Molecular Properties

Compound Nameethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid
PubChem CID155716332
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Nameethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid
SMILESCC.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C23H28N4O5.C2H6/c1-22(2,3)32-21(31)26-10-11-27-18(14-26)17(13-24-27)19(28)25(4)23(8-9-23)16-7-5-6-15(12-16)20(29)30;1-2/h5-7,12-13H,8-11,14H2,1-4H3,(H,29,30);1-2H3
InChIKeyGLTICRCGYNVHCP-UHFFFAOYSA-N
XLogP4.12
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid with MolForge

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Related Compounds

7-(Cyclopropanecarbonyl)-2-(2-methylpyrazol-3-yl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97389819
US9598423, Example 122
CID 118062394
3-{1-[(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-3-yl}benzoic acid
CID 72861321
3-[[1-(4-Fluorophenyl)ethyl-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]methyl]benzoic acid
CID 68287840
4-[1-[[5-(4-chloro-6-fluoro-5,6-dihydro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
CID 155260055
3-fluoro-2-[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]benzoic acid
CID 156903114
4-[1-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
CID 164979970
3-[1-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 164990358
3-[1-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
CID 165023441
5-Fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
CID 167501092
2-Ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
CID 167501829
4-[4-[Cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-5-fluoro-2-methylindazole-7-carboxylic acid
CID 172302712

Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?
The IUPAC name of ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid (CID 155716332) is ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid.
What is the SMILES notation for ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?
The canonical SMILES for ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid is CC.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2cccc(C(=O)O)c2)CC1.
What is the InChIKey of ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?
The InChIKey is GLTICRCGYNVHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5.C2H6/c1-22(2,3)32-21(31)26-10-11-27-18(14-26)17(13-24-27)19(28)25(4)23(8-9-23)16-7-5-6-15(12-16)20(29)30;1-2/h5-7,12-13H,8-11,14H2,1-4H3,(H,29,30);1-2H3.
What are the key properties of ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?
ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid has a molecular weight of 470.57 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid is sourced from PubChem (CID 155716332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).