2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

C64H78N10S2 — CID 158747674

IUPAC2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnn2ccccc12
InChIInChI=1S/C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyINBSBARICDKAKY-UHFFFAOYSA-N
MW1051.53 g/mol
LogP18.06
Rot. Bonds7

About 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 158747674) has the molecular formula C64H78N10S2 and a molecular weight of 1051.53 g/mol. Its IUPAC name is 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID158747674
Molecular FormulaC64H78N10S2
Molecular Weight1051.53 g/mol
Exact Mass1050.59
IUPAC Name2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnn2ccccc12
InChIInChI=1S/C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyINBSBARICDKAKY-UHFFFAOYSA-N
XLogP18.06
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.53
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 158747674) is 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnn2ccccc12.
What is the InChIKey of 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The InChIKey is INBSBARICDKAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine has a molecular weight of 1051.53 g/mol, XLogP of 18.06, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 158747674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).