[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid

C20H24N4O3 — CID 139512207

IUPAC[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
SMILESCc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@@H]3NC(=O)O)n1
InChIInChI=1S/C20H24N4O3/c1-13-11-21-16(12-25)18(22-13)24-8-6-20(7-9-24)10-14-4-2-3-5-15(14)17(20)23-19(26)27/h2-5,11,17,23,25H,6-10,12H2,1H3,(H,26,27)/t17-/m0/s1
InChIKeyAEELNPWNAJLTFV-KRWDZBQOSA-N
MW368.44 g/mol
LogP2.43
Rot. Bonds3

About [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid

[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid (PubChem CID 139512207) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
PubChem CID139512207
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
SMILESCc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@@H]3NC(=O)O)n1
InChIInChI=1S/C20H24N4O3/c1-13-11-21-16(12-25)18(22-13)24-8-6-20(7-9-24)10-14-4-2-3-5-15(14)17(20)23-19(26)27/h2-5,11,17,23,25H,6-10,12H2,1H3,(H,26,27)/t17-/m0/s1
InChIKeyAEELNPWNAJLTFV-KRWDZBQOSA-N
XLogP2.43
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid
CID 175463003
methyl 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155774173
[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
CID 139512142
methyl 6-bromo-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 149011664
N-[(1S)-1'-[3-(hydroxymethyl)-5-[2-(1-methylimidazol-4-yl)ethynyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 166673737
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'-(4-iodo-6-methyl-2-pyridinyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 149051861
N-[(1S)-1'-[5-(2-aminopyrimidin-4-yl)sulfanyl-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155035691
N-spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ylacetamide
CID 21433683
4-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]prop-2-ynylamino]benzamide
CID 162680644
N-[(1S)-1'-[3-(hydroxymethyl)-5-pyrimidin-4-ylsulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155035671

Frequently Asked Questions

What is the IUPAC name of [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The IUPAC name of [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid (CID 139512207) is [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid.
What is the SMILES notation for [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The canonical SMILES for [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid is Cc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@@H]3NC(=O)O)n1.
What is the InChIKey of [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The InChIKey is AEELNPWNAJLTFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-11-21-16(12-25)18(22-13)24-8-6-20(7-9-24)10-14-4-2-3-5-15(14)17(20)23-19(26)27/h2-5,11,17,23,25H,6-10,12H2,1H3,(H,26,27)/t17-/m0/s1.
What are the key properties of [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid has a molecular weight of 368.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid is sourced from PubChem (CID 139512207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).