5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine

5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine (PubChem CID 158034302) has the molecular formula C73H53N27O4S4 and a molecular weight of 1500.68 g/mol. Its IUPAC name is 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine.

Molecular Properties

Compound Name	5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
PubChem CID	158034302
Molecular Formula	C73H53N27O4S4
Molecular Weight	1500.68 g/mol
Exact Mass	1499.37
IUPAC Name	5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
SMILES	C1=Cc2ncncc2C1.C1=Nc2ncncc2C1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2ncoc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1.c1ncc2[nH]cnc2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ncoc2n1.c1ncc2scnc2n1
InChI	InChI=1S/C7H6N2.C7H5NO.2C7H5NS.2C6H5N3.2C6H4N2O.C6H4N2S.C5H4N4.C5H3N3O.C5H3N3S/c1-2-6-4-8-5-9-7(6)3-1;21-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;21-2-8-6-5(1)3-7-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-4-5(8-2-6-1)9-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-4-5(7-2-6-1)8-3-9-4/h1,3-5H,2H2;31-5H;2-4H,1H2;1-4H,(H,7,8,9);31-4H;1-3H,(H,6,7,8,9);2*1-3H
InChIKey	FHOCSVHKTSQPFB-UHFFFAOYSA-N
XLogP	15.35
TPSA	405.86 Å²
H-Bond Donors	2
H-Bond Acceptors	33
Rotatable Bonds
Heavy Atoms	108
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1500.68
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Analyze 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine 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

Frequently Asked Questions

What is the IUPAC name of 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?

The IUPAC name of 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine (CID 158034302) is 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine.

What is the SMILES notation for 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?

The canonical SMILES for 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine is C1=Cc2ncncc2C1.C1=Nc2ncncc2C1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2ncoc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1.c1ncc2[nH]cnc2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ncoc2n1.c1ncc2scnc2n1.

What is the InChIKey of 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?

The InChIKey is FHOCSVHKTSQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H5NO.2C7H5NS.2C6H5N3.2C6H4N2O.C6H4N2S.C5H4N4.C5H3N3O.C5H3N3S/c1-2-6-4-8-5-9-7(6)3-1;2*1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;2*1-2-8-6-5(1)3-7-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-4-5(8-2-6-1)9-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-4-5(7-2-6-1)8-3-9-4/h1,3-5H,2H2;3*1-5H;2-4H,1H2;1-4H,(H,7,8,9);3*1-4H;1-3H,(H,6,7,8,9);2*1-3H.

What are the key properties of 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?

Where does this data come from?

All data for 5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine is sourced from PubChem (CID 158034302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).