(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

C78H110N4O2S2 — CID 163962126

IUPAC(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)[C@@H]1CCCc2ccsc21.CC(C)[C@@H]1CCNc2ccccc21.CC(C)[C@@H]1COc2cccnc21.CC(C)[C@H]1CCCC2=C1C=CC2.CC(C)[C@H]1CCCc2ccsc21.CC(C)[C@H]1CCNc2ccccc21.CC(C)[C@H]1COc2cccnc21
InChIInChI=1S/2C12H17N.C12H18.2C11H16S.2C10H13NO/c2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-7(2)8-6-12-9-4-3-5-11-10(8)9/h2*3-6,9-10,13H,7-8H2,1-2H3;4,8-9,11H,3,5-7H2,1-2H3;2*6-8,10H,3-5H2,1-2H3;2*3-5,7-8H,6H2,1-2H3/t2*10-;11-;2*10-;2*8-/m1011010/s1
InChIKeySILBHOFEJHEVIP-YDBOTQSYSA-N
MW1199.90 g/mol
LogP22.26
Rot. Bonds7

About (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 163962126) has the molecular formula C78H110N4O2S2 and a molecular weight of 1199.90 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID163962126
Molecular FormulaC78H110N4O2S2
Molecular Weight1199.90 g/mol
Exact Mass1198.81
IUPAC Name(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)[C@@H]1CCCc2ccsc21.CC(C)[C@@H]1CCNc2ccccc21.CC(C)[C@@H]1COc2cccnc21.CC(C)[C@H]1CCCC2=C1C=CC2.CC(C)[C@H]1CCCc2ccsc21.CC(C)[C@H]1CCNc2ccccc21.CC(C)[C@H]1COc2cccnc21
InChIInChI=1S/2C12H17N.C12H18.2C11H16S.2C10H13NO/c2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-7(2)8-6-12-9-4-3-5-11-10(8)9/h2*3-6,9-10,13H,7-8H2,1-2H3;4,8-9,11H,3,5-7H2,1-2H3;2*6-8,10H,3-5H2,1-2H3;2*3-5,7-8H,6H2,1-2H3/t2*10-;11-;2*10-;2*8-/m1011010/s1
InChIKeySILBHOFEJHEVIP-YDBOTQSYSA-N
XLogP22.26
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.90
LogP ≤ 522.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

6-(1-Benzothiophen-3-yl)-4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline
CID 23156583
(2S)-1-[[5-(1-benzothiophen-2-yl)-6-thiophen-2-yl-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 69918469
2-(3-Methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine
CID 145249663
4-(1,4-dimethyl-4a,9b-dihydro-1H-dibenzofuran-4-yl)-6-[6-methyl-4-[4-[2-(1-methyl-2H-pyridin-2-yl)-6-pyridin-2-yl-4-pyridinyl]phenyl]cyclohexa-1,3-dien-1-yl]-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline
CID 146489694
2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine;N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine
CID 157817137
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)
CID 158252145
6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine
CID 158631805
5',5'-Dimethylspiro[benzo[b][1]benzosilole-5,10'-silanthrene];5-methylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole];spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole];spiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole];spiro[[1]benzosilolo[3,2-b]thiophene-4,5'-benzo[b][1]benzosilole];10,10'-spirobi[benzo[b][1,4]benzoxasiline];8,8'-spirobi[3,13-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
CID 158785171
6,7-dihydro-5H-cyclopenta[b]pyrazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-5,7-dihydrofuro[3,4-b]pyridine;3-methyl-2,3-dihydrothieno[3,2-b]pyridine;7-methyl-5,7-dihydrothieno[3,4-b]pyridine
CID 159349755
bis(2,3-dihydro-1-benzofuran);2,3-dihydro-1-benzothiophene;2,3-dihydrofuro[2,3-c]pyridine;6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;ethane
CID 159510833
bis(N-ethyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine);N-ethyl-N-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridin-3-amine;N-ethyl-N-propan-2-yl-5,7-dihydrofuro[3,4-b]pyridin-7-amine;N-ethyl-N-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-ethyl-N-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-amine;N-ethyl-N-propan-2-yl-2,3-dihydrothieno[3,2-b]pyridin-3-amine;N-ethyl-N-propan-2-yl-5,7-dihydrothieno[3,4-b]pyridin-7-amine;N-ethyl-N-propan-2-yl-5H-pyrano[4,3-b]pyridin-8-amine;tetrakis(N-ethyl-N-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine)
CID 160381869
2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine
CID 160966647

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 163962126) is (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)[C@@H]1CCCc2ccsc21.CC(C)[C@@H]1CCNc2ccccc21.CC(C)[C@@H]1COc2cccnc21.CC(C)[C@H]1CCCC2=C1C=CC2.CC(C)[C@H]1CCCc2ccsc21.CC(C)[C@H]1CCNc2ccccc21.CC(C)[C@H]1COc2cccnc21.
What is the InChIKey of (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SILBHOFEJHEVIP-YDBOTQSYSA-N. The full InChI is InChI=1S/2C12H17N.C12H18.2C11H16S.2C10H13NO/c2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-7(2)8-6-12-9-4-3-5-11-10(8)9/h2*3-6,9-10,13H,7-8H2,1-2H3;4,8-9,11H,3,5-7H2,1-2H3;2*6-8,10H,3-5H2,1-2H3;2*3-5,7-8H,6H2,1-2H3/t2*10-;11-;2*10-;2*8-/m1011010/s1.
What are the key properties of (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 1199.90 g/mol, XLogP of 22.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 163962126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).