tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate

C26H33N5O4 — CID 170117135

IUPACtert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc2c(c1)CC(NC(=O)c1nccnc1NC(=O)C1CCCCN1C(=O)OC(C)(C)C)C2
InChIInChI=1S/C26H33N5O4/c1-16-8-9-17-14-19(15-18(17)13-16)29-24(33)21-22(28-11-10-27-21)30-23(32)20-7-5-6-12-31(20)25(34)35-26(2,3)4/h8-11,13,19-20H,5-7,12,14-15H2,1-4H3,(H,29,33)(H,28,30,32)
InChIKeyQEDVGKXSESHVKU-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 170117135) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID170117135
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Nametert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc2c(c1)CC(NC(=O)c1nccnc1NC(=O)C1CCCCN1C(=O)OC(C)(C)C)C2
InChIInChI=1S/C26H33N5O4/c1-16-8-9-17-14-19(15-18(17)13-16)29-24(33)21-22(28-11-10-27-21)30-23(32)20-7-5-6-12-31(20)25(34)35-26(2,3)4/h8-11,13,19-20H,5-7,12,14-15H2,1-4H3,(H,29,33)(H,28,30,32)
InChIKeyQEDVGKXSESHVKU-UHFFFAOYSA-N
XLogP3.41
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide
CID 157302652
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148
tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
tert-butyl (2R)-2-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 36765757
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
5-bromo-2,3-dihydro-1H-inden-2-amine;tert-butyl 2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 159393994
tert-butyl 2-[(4-bromo-2-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 56545526

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate (CID 170117135) is tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate is Cc1ccc2c(c1)CC(NC(=O)c1nccnc1NC(=O)C1CCCCN1C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is QEDVGKXSESHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16-8-9-17-14-19(15-18(17)13-16)29-24(33)21-22(28-11-10-27-21)30-23(32)20-7-5-6-12-31(20)25(34)35-26(2,3)4/h8-11,13,19-20H,5-7,12,14-15H2,1-4H3,(H,29,33)(H,28,30,32).
What are the key properties of tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 479.58 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 170117135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).