1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one

C87H65N33O12 — CID 158090588

About 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one

1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one (PubChem CID 158090588) has the molecular formula C87H65N33O12 and a molecular weight of 1764.70 g/mol. Its IUPAC name is 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one.

Molecular Properties

• Compound Name: 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one
• PubChem CID: 158090588
• Molecular Formula: C87H65N33O12
• Molecular Weight: 1764.70 g/mol
• Exact Mass: 1763.55
• IUPAC Name: 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one
• SMILES: O=C1Cc2cnccc2N1.O=C1Cc2ncccc2N1.O=c1[nH]c2c(c(=O)[nH]1)CC=N2.O=c1[nH]c2ccnn2c2ccccc12.O=c1[nH]c2ccnn2c2ncccc12.O=c1[nH]c2cncn2c2ccccc12.O=c1[nH]c2nnnn2c2ccccc12.O=c1[nH]ccc2nccn12.O=c1ccc2ccccc2[nH]1.O=c1cccc2nc[nH]n12.O=c1nc2cn[nH]n2c2ccccc12
• InChI: InChI=1S/2C10H7N3O.2C9H6N4O.C9H7NO.C8H5N5O.2C7H6N2O.C6H5N3O2.2C6H5N3O/c14-10-7-3-1-2-4-8(7)13-6-11-5-9(13)12-10;14-10-7-3-1-2-4-8(7)13-9(12-10)5-6-11-13;14-9-6-2-1-4-10-8(6)13-7(12-9)3-5-11-13;14-9-6-3-1-2-4-7(6)13-8(11-9)5-10-12-13;11-9-6-5-7-3-1-2-4-8(7)10-9;14-7-5-3-1-2-4-6(5)13-8(9-7)10-11-12-13;10-7-3-5-4-8-2-1-6(5)9-7;10-7-4-6-5(9-7)2-1-3-8-6;10-5-3-1-2-7-4(3)8-6(11)9-5;10-6-8-2-1-5-7-3-4-9(5)6;10-6-3-1-2-5-7-4-8-9(5)6/h2*1-6H,(H,12,14);1-5H,(H,12,14);1-5,12H;1-6H,(H,10,11);1-4H,(H,9,10,12,14);1-2,4H,3H2,(H,9,10);1-3H,4H2,(H,9,10);2H,1H2,(H2,8,9,10,11);1-4H,(H,8,10);1-4H,(H,7,8)
• InChIKey: YMSDBMQMXVCBRQ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 597.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.70
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?

The IUPAC name of 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one (CID 158090588) is 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one.

What is the SMILES notation for 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?

The canonical SMILES for 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one is O=C1Cc2cnccc2N1.O=C1Cc2ncccc2N1.O=c1[nH]c2c(c(=O)[nH]1)CC=N2.O=c1[nH]c2ccnn2c2ccccc12.O=c1[nH]c2ccnn2c2ncccc12.O=c1[nH]c2cncn2c2ccccc12.O=c1[nH]c2nnnn2c2ccccc12.O=c1[nH]ccc2nccn12.O=c1ccc2ccccc2[nH]1.O=c1cccc2nc[nH]n12.O=c1nc2cn[nH]n2c2ccccc12.

What is the InChIKey of 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?

The InChIKey is YMSDBMQMXVCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7N3O.2C9H6N4O.C9H7NO.C8H5N5O.2C7H6N2O.C6H5N3O2.2C6H5N3O/c14-10-7-3-1-2-4-8(7)13-6-11-5-9(13)12-10;14-10-7-3-1-2-4-8(7)13-9(12-10)5-6-11-13;14-9-6-2-1-4-10-8(6)13-7(12-9)3-5-11-13;14-9-6-3-1-2-4-7(6)13-8(11-9)5-10-12-13;11-9-6-5-7-3-1-2-4-8(7)10-9;14-7-5-3-1-2-4-6(5)13-8(9-7)10-11-12-13;10-7-3-5-4-8-2-1-6(5)9-7;10-7-4-6-5(9-7)2-1-3-8-6;10-5-3-1-2-7-4(3)8-6(11)9-5;10-6-8-2-1-5-7-3-4-9(5)6;10-6-3-1-2-5-7-4-8-9(5)6/h2*1-6H,(H,12,14);1-5H,(H,12,14);1-5,12H;1-6H,(H,10,11);1-4H,(H,9,10,12,14);1-2,4H,3H2,(H,9,10);1-3H,4H2,(H,9,10);2H,1H2,(H2,8,9,10,11);1-4H,(H,8,10);1-4H,(H,7,8).

What are the key properties of 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?

1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one has a molecular weight of 1764.70 g/mol, XLogP of 5.51, 0 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dihydropyrrolo[3,2-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;4H-pyrazolo[1,5-a]quinazolin-5-one;1H-quinolin-2-one;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-tetrazolo[1,5-a]quinazolin-5-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 158090588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).