6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine

C25H30N4S — CID 159289606

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine
SMILESC.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCCC2.c1ncc2sccc2n1
InChIInChI=1S/C10H13N.C8H9N.C6H4N2S.CH4/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-3-7-4-2-6-9-8(7)5-1;1-2-9-6-3-7-4-8-5(1)6;/h4,6,8H,1-3,5,7H2;2,4,6H,1,3,5H2;1-4H;1H4
InChIKeyKZYDMAMFOUIFFO-UHFFFAOYSA-N
MW418.61 g/mol
LogP6.25
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine

6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine (PubChem CID 159289606) has the molecular formula C25H30N4S and a molecular weight of 418.61 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine
PubChem CID159289606
Molecular FormulaC25H30N4S
Molecular Weight418.61 g/mol
Exact Mass418.22
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine
SMILESC.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCCC2.c1ncc2sccc2n1
InChIInChI=1S/C10H13N.C8H9N.C6H4N2S.CH4/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-3-7-4-2-6-9-8(7)5-1;1-2-9-6-3-7-4-8-5(1)6;/h4,6,8H,1-3,5,7H2;2,4,6H,1,3,5H2;1-4H;1H4
InChIKeyKZYDMAMFOUIFFO-UHFFFAOYSA-N
XLogP6.25
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 175101128
acetic acid;thieno[3,2-d]pyrimidine
CID 66697178
2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
CID 118642189
morpholine;thieno[3,2-d]pyrimidine
CID 68760421
bis(but-2-enedioic acid);5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 163858481
5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline
CID 143523722
propanediamide;thieno[3,2-d]pyrimidine
CID 67279021
6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
CID 162248252
cinnoline;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162034088
5,6-dihydropyrido[3,2-h]quinazoline
CID 15783775
quinoxaline;5,6,7,8-tetrahydroquinoxaline
CID 158834092

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine (CID 159289606) is 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine is C.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCCC2.c1ncc2sccc2n1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine?
The InChIKey is KZYDMAMFOUIFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C8H9N.C6H4N2S.CH4/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-3-7-4-2-6-9-8(7)5-1;1-2-9-6-3-7-4-8-5(1)6;/h4,6,8H,1-3,5,7H2;2,4,6H,1,3,5H2;1-4H;1H4.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine?
6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine has a molecular weight of 418.61 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine is sourced from PubChem (CID 159289606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).