6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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

C111H105N37O — CID 158433535

About 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 158433535) has the molecular formula C111H105N37O and a molecular weight of 1973.32 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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: 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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: 158433535
• Molecular Formula: C111H105N37O
• Molecular Weight: 1973.32 g/mol
• Exact Mass: 1971.93
• IUPAC Name: 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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.c1cc2n(n1)CCOC2.c1ccc2[nH]ncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.c1ncc2ncncc2n1.c1ncn2c1CCCC2
• InChI: InChI=1S/4C8H6N2.C8H11N.2C7H6N2.2C7H10N2.C7H6N2.C6H4N4.4C6H5N3.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;1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;1-2-7-8-3-4-9-5-6(1)8/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;4*1-5H;1-2H,3-5H2
• InChIKey: HBYGRYKVPVXJIA-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 429.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.32
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 158433535) is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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.c1cc2n(n1)CCOC2.c1ccc2[nH]ncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.c1ncc2ncncc2n1.c1ncn2c1CCCC2.

What is the InChIKey of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 HBYGRYKVPVXJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H6N2.C8H11N.2C7H6N2.2C7H10N2.C7H6N2.C6H4N4.4C6H5N3.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;1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;1-2-7-8-3-4-9-5-6(1)8/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;4*1-5H;1-2H,3-5H2.

What are the key properties of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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?

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 1973.32 g/mol, XLogP of 18.24, 0 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;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 158433535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).