6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C117H110N40O — CID 157127848

About 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 157127848) has the molecular formula C117H110N40O and a molecular weight of 2092.45 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• PubChem CID: 157127848
• Molecular Formula: C117H110N40O
• Molecular Weight: 2092.45 g/mol
• Exact Mass: 2090.98
• IUPAC Name: 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• SMILES: C1=NCC2=C1CCCC2.C1=NCc2ccncc21.C1=NCc2cnccc21.c1cc2ccncc2cn1.c1cc2ccnn2cn1.c1cc2cnccc2cn1.c1cc2n(n1)CCCC2.c1ccc2[nH]ncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.c1cnn2cncc2c1.c1ncc2ncncc2n1.c1ncn2c1CCCC2.c1ncn2c1COCC2
• InChI: InChI=1S/4C8H6N2.C8H11N.2C7H6N2.2C7H10N2.C7H6N2.C6H4N4.5C6H5N3.C6H8N2O/c1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-8-4-7-5-9-3-6(1)7;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-5-6(10-3-7-1)2-8-4-9-5;1-3-7-5-9-6(1)2-4-8-9;1-2-7-6-8-3-5-9(6)4-1;2*1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;1-2-9-4-6-3-7-5-8(1)6/h4*1-6H;5H,1-4,6H2;1-2,4-5H,3H2;1-4H,5H2;4-5H,1-3,6H2;5-6H,1-4H2;1-5H,(H,8,9);1-4H;5*1-5H;3,5H,1-2,4H2
• InChIKey: AISGOWQEERWQIW-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 459.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.45
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The IUPAC name of 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 157127848) is 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

What is the SMILES notation for 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The canonical SMILES for 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is C1=NCC2=C1CCCC2.C1=NCc2ccncc21.C1=NCc2cnccc21.c1cc2ccncc2cn1.c1cc2ccnn2cn1.c1cc2cnccc2cn1.c1cc2n(n1)CCCC2.c1ccc2[nH]ncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.c1cnn2cncc2c1.c1ncc2ncncc2n1.c1ncn2c1CCCC2.c1ncn2c1COCC2.

What is the InChIKey of 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The InChIKey is AISGOWQEERWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H6N2.C8H11N.2C7H6N2.2C7H10N2.C7H6N2.C6H4N4.5C6H5N3.C6H8N2O/c1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-8-4-7-5-9-3-6(1)7;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-5-6(10-3-7-1)2-8-4-9-5;1-3-7-5-9-6(1)2-4-8-9;1-2-7-6-8-3-5-9(6)4-1;2*1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;1-2-9-4-6-3-7-5-8(1)6/h4*1-6H;5H,1-4,6H2;1-2,4-5H,3H2;1-4H,5H2;4-5H,1-3,6H2;5-6H,1-4H2;1-5H,(H,8,9);1-4H;5*1-5H;3,5H,1-2,4H2.

What are the key properties of 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 2092.45 g/mol, XLogP of 18.97, 0 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157127848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).