5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine

C90H117N15O2S2 — CID 167623729

IUPAC5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1c[nH]c2cnccc12.CC(C)(C)c1ccc2c(N)nccn12.CC(C)(C)c1cccc2c1CCC(=O)C2.CC(C)(C)c1ccn2cnccc12.CC(C)(C)c1ccnc2c1OCCN2.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1csc2c(N)nccc12.CC(C)(C)c1csc2cnccc12
InChIInChI=1S/C14H18O.C11H15N3.C11H16N2O.C11H14N2S.2C11H14N2.C11H13NS.C10H13N3/c1-14(2,3)13-6-4-5-10-9-11(15)7-8-12(10)13;1-11(2,3)9-5-4-8-10(12)13-6-7-14(8)9;1-11(2,3)8-4-5-12-10-9(8)14-7-6-13-10;1-11(2,3)8-6-14-9-7(8)4-5-13-10(9)12;1-11(2,3)9-5-7-13-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)9-7-13-10-6-12-5-4-8(9)10;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9/h4-6H,7-9H2,1-3H3;4-7H,1-3H3,(H2,12,13);4-5H,6-7H2,1-3H3,(H,12,13);4-6H,1-3H3,(H2,12,13);4-8H,1-3H3;4-7,13H,1-3H3;2*4-7H,1-3H3
InChIKeyMUHFWHOFHNPJNQ-UHFFFAOYSA-N
MW1505.16 g/mol
LogP21.73
Rot. Bonds

About 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine

5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine (PubChem CID 167623729) has the molecular formula C90H117N15O2S2 and a molecular weight of 1505.16 g/mol. Its IUPAC name is 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine
PubChem CID167623729
Molecular FormulaC90H117N15O2S2
Molecular Weight1505.16 g/mol
Exact Mass1503.90
IUPAC Name5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine
SMILESCC(C)(C)c1c[nH]c2cnccc12.CC(C)(C)c1ccc2c(N)nccn12.CC(C)(C)c1cccc2c1CCC(=O)C2.CC(C)(C)c1ccn2cnccc12.CC(C)(C)c1ccnc2c1OCCN2.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1csc2c(N)nccc12.CC(C)(C)c1csc2cnccc12
InChIInChI=1S/C14H18O.C11H15N3.C11H16N2O.C11H14N2S.2C11H14N2.C11H13NS.C10H13N3/c1-14(2,3)13-6-4-5-10-9-11(15)7-8-12(10)13;1-11(2,3)9-5-4-8-10(12)13-6-7-14(8)9;1-11(2,3)8-4-5-12-10-9(8)14-7-6-13-10;1-11(2,3)8-6-14-9-7(8)4-5-13-10(9)12;1-11(2,3)9-5-7-13-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)9-7-13-10-6-12-5-4-8(9)10;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9/h4-6H,7-9H2,1-3H3;4-7H,1-3H3,(H2,12,13);4-5H,6-7H2,1-3H3,(H,12,13);4-6H,1-3H3,(H2,12,13);4-8H,1-3H3;4-7,13H,1-3H3;2*4-7H,1-3H3
InChIKeyMUHFWHOFHNPJNQ-UHFFFAOYSA-N
XLogP21.73
TPSA222.51 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.16
LogP ≤ 521.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine?
The IUPAC name of 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine (CID 167623729) is 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine.
What is the SMILES notation for 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine?
The canonical SMILES for 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine is CC(C)(C)c1c[nH]c2cnccc12.CC(C)(C)c1ccc2c(N)nccn12.CC(C)(C)c1cccc2c1CCC(=O)C2.CC(C)(C)c1ccn2cnccc12.CC(C)(C)c1ccnc2c1OCCN2.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1csc2c(N)nccc12.CC(C)(C)c1csc2cnccc12.
What is the InChIKey of 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine?
The InChIKey is MUHFWHOFHNPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.C11H15N3.C11H16N2O.C11H14N2S.2C11H14N2.C11H13NS.C10H13N3/c1-14(2,3)13-6-4-5-10-9-11(15)7-8-12(10)13;1-11(2,3)9-5-4-8-10(12)13-6-7-14(8)9;1-11(2,3)8-4-5-12-10-9(8)14-7-6-13-10;1-11(2,3)8-6-14-9-7(8)4-5-13-10(9)12;1-11(2,3)9-5-7-13-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)9-7-13-10-6-12-5-4-8(9)10;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9/h4-6H,7-9H2,1-3H3;4-7H,1-3H3,(H2,12,13);4-5H,6-7H2,1-3H3,(H,12,13);4-6H,1-3H3,(H2,12,13);4-8H,1-3H3;4-7,13H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine?
5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine has a molecular weight of 1505.16 g/mol, XLogP of 21.73, 0 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;8-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-a]pyrazin-1-amine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butylthieno[2,3-c]pyridin-7-amine;3-tert-butylthieno[2,3-c]pyridine is sourced from PubChem (CID 167623729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).