ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate

C26H30N4O4 — CID 130211510

IUPACethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(-c3cccc4c3C(NC(=O)OC(C)(C)C)CC4)n2)c1C
InChIInChI=1S/C26H30N4O4/c1-6-33-24(31)19-15-27-30(16(19)2)22-12-8-11-20(28-22)18-10-7-9-17-13-14-21(23(17)18)29-25(32)34-26(3,4)5/h7-12,15,21H,6,13-14H2,1-5H3,(H,29,32)
InChIKeyIWNJRJYECQWCGS-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.93
Rot. Bonds5

About ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate

ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 130211510) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID130211510
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Nameethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(-c3cccc4c3C(NC(=O)OC(C)(C)C)CC4)n2)c1C
InChIInChI=1S/C26H30N4O4/c1-6-33-24(31)19-15-27-30(16(19)2)22-12-8-11-20(28-22)18-10-7-9-17-13-14-21(23(17)18)29-25(32)34-26(3,4)5/h7-12,15,21H,6,13-14H2,1-5H3,(H,29,32)
InChIKeyIWNJRJYECQWCGS-UHFFFAOYSA-N
XLogP4.93
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[6-(2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 118627943
ethyl 5-methyl-1-[4-[3-(2-methyl-4-piperidin-4-ylanilino)-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate
CID 142797750
ethyl 5-amino-1-[6-[(3R)-3-[(3-ethyl-4-piperidin-4-ylphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate
CID 138705450
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 125041541
ethyl 5-ethyl-1-[6-[3-[3-ethyl-4-[1-[(2S)-2-[5-ethyl-1-[6-[3-[3-ethyl-4-[1-[(2S)-2-hydroxybutanoyl]piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carbonyl]oxybutanoyl]piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate
CID 118628087
1-[6-[3-[4-(1-cyclopropylpiperidin-4-yl)-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 118627974
4-[4-[[7-[6-(4-ethoxycarbonyl-5-methoxypyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]methyl]-2-ethylphenyl]piperidine-1-carboxylic acid
CID 137370778
4-[4-[[(1S)-7-[6-(4-ethoxycarbonyl-5-methoxypyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-ethylphenyl]piperidine-1-carboxylic acid
CID 129246933
tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 125470418
tert-butyl 4-[4-[[2-[6-(4-ethoxycarbonyl-5-methylpyrazol-1-yl)-2-pyridinyl]-6-methylcyclohexen-1-yl]methoxy]-2-ethylphenyl]piperidine-1-carboxylate
CID 130200039
1-[6-[3-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 130224629
1-[6-[3-[4-(1-ethoxycarbonylpiperidin-4-yl)-3-ethylphenoxy]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 118627985

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate (CID 130211510) is ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc(-c3cccc4c3C(NC(=O)OC(C)(C)C)CC4)n2)c1C.
What is the InChIKey of ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is IWNJRJYECQWCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-6-33-24(31)19-15-27-30(16(19)2)22-12-8-11-20(28-22)18-10-7-9-17-13-14-21(23(17)18)29-25(32)34-26(3,4)5/h7-12,15,21H,6,13-14H2,1-5H3,(H,29,32).
What are the key properties of ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 130211510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).