5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid

C24H30N4O4 — CID 175463003

IUPAC5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)c(N2CCC3(CC2)Cc2ccccc2C3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H30N4O4/c1-15-14-25-18(21(29)30)20(26-15)28-11-9-24(10-12-28)13-16-7-5-6-8-17(16)19(24)27-22(31)32-23(2,3)4/h5-8,14,19H,9-13H2,1-4H3,(H,27,31)(H,29,30)
InChIKeyMFSJIGHDRDCPAW-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.89
Rot. Bonds3

About 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid

5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid (PubChem CID 175463003) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid
PubChem CID175463003
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)c(N2CCC3(CC2)Cc2ccccc2C3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H30N4O4/c1-15-14-25-18(21(29)30)20(26-15)28-11-9-24(10-12-28)13-16-7-5-6-8-17(16)19(24)27-22(31)32-23(2,3)4/h5-8,14,19H,9-13H2,1-4H3,(H,27,31)(H,29,30)
InChIKeyMFSJIGHDRDCPAW-UHFFFAOYSA-N
XLogP3.89
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155774173
methyl 6-bromo-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 149011664
[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
CID 139512207
tert-butyl N-[(1S)-1'-(4-iodo-6-methyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 149051861
tert-butyl N-[(1S)-1'-(6-bromo-1,2,4-triazin-3-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155623276
methyl 3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-sulfanylidene-1H-pyrazine-2-carboxylate
CID 155774243
tert-butyl N-[(1S)-1'-(5-cyclopentyloxypyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155774245
tert-butyl N-[(1S)-1'-(5-bromo-3-cyano-2H-pyrazolo[3,4-b]pyrazin-6-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155774127
tert-butyl N-[1'-[5-carbonimidiodidoyl-6-(oxan-2-ylamino)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 163734634
methyl 3-[[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1,2,4-triazin-6-yl]sulfanyl]propanoate
CID 155623278
tert-butyl N-[(5S)-1'-(3-acetyl-6-amino-5-bromopyrazin-2-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]carbamate
CID 162383109
tert-butyl N-[(1S)-1'-(3-bromo-5-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;1,3-dibromo-5-methylbenzene;methane
CID 159669453

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid (CID 175463003) is 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid is Cc1cnc(C(=O)O)c(N2CCC3(CC2)Cc2ccccc2C3NC(=O)OC(C)(C)C)n1.
What is the InChIKey of 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid?
The InChIKey is MFSJIGHDRDCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-15-14-25-18(21(29)30)20(26-15)28-11-9-24(10-12-28)13-16-7-5-6-8-17(16)19(24)27-22(31)32-23(2,3)4/h5-8,14,19H,9-13H2,1-4H3,(H,27,31)(H,29,30).
What are the key properties of 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid?
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid has a molecular weight of 438.53 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 175463003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).