6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline — IUPAC name, SMILES, InChIKey & properties

Name: 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline

6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline (PubChem CID 158674317) has the molecular formula C143H118N50O2 and a molecular weight of 2568.86 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline.

Molecular Properties

Compound Name	6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline
PubChem CID	158674317
Molecular Formula	C143H118N50O2
Molecular Weight	2568.86 g/mol
Exact Mass	2567.07
IUPAC Name	6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline
SMILES	C1=NCc2cccnc21.C1=NCc2ccncc21.C1=NCc2cnccc21.C1=NCc2ncccc21.c1cc2ccnn2cn1.c1cc2cncn2cn1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2ccncc2c1.c1cnc2ccnn2c1.c1cnc2cncn2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.c1cnn2cncc2c1.c1cnn2nccc2c1.c1nc2c(o1)CCCO2.c1ncc2ncncc2n1
InChI	InChI=1S/2C9H7N.3C8H6N2.5C7H6N2.C6H4N4.9C6H5N3.C6H7NO2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;21-2-8-4-7-5-9-3-6(1)7;21-2-6-4-8-5-7(6)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;1-3-7-6-2-4-8-9(6)5-1;1-2-7-4-9-5-8-3-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-3-5-8-9(6)7-4-1;1-2-8-6-4-7-5-9(6)3-1;21-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;1-2-5-6(8-3-1)7-4-9-5/h21-7H;31-6H;1-2,4-5H,3H2;1-4H,5H2;1-3,5H,4H2;1-4H,5H2;1-5H,(H,8,9);1-4H;91-5H;4H,1-3H2
InChIKey	IEIDLPHGGGRXKD-UHFFFAOYSA-N
XLogP	22.96
TPSA	591.33 Å²
H-Bond Donors	1
H-Bond Acceptors	51
Rotatable Bonds
Heavy Atoms	195
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2568.86
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	51

Analyze 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline?

The IUPAC name of 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline (CID 158674317) is 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline.

What is the SMILES notation for 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline?

The canonical SMILES for 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline is C1=NCc2cccnc21.C1=NCc2ccncc21.C1=NCc2cnccc21.C1=NCc2ncccc21.c1cc2ccnn2cn1.c1cc2cncn2cn1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2ccncc2c1.c1cnc2ccnn2c1.c1cnc2cncn2c1.c1cnc2nccn2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.c1cnn2cncc2c1.c1cnn2nccc2c1.c1nc2c(o1)CCCO2.c1ncc2ncncc2n1.

What is the InChIKey of 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline?

The InChIKey is IEIDLPHGGGRXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.3C8H6N2.5C7H6N2.C6H4N4.9C6H5N3.C6H7NO2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-8-4-7-5-9-3-6(1)7;2*1-2-6-4-8-5-7(6)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;1-3-7-6-2-4-8-9(6)5-1;1-2-7-4-9-5-8-3-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-3-5-8-9(6)7-4-1;1-2-8-6-4-7-5-9(6)3-1;2*1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;1-2-5-6(8-3-1)7-4-9-5/h2*1-7H;3*1-6H;1-2,4-5H,3H2;1-4H,5H2;1-3,5H,4H2;1-4H,5H2;1-5H,(H,8,9);1-4H;9*1-5H;4H,1-3H2.

What are the key properties of 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline?

Where does this data come from?

All data for 6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;1,6-naphthyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;quinazoline;quinoline;quinoxaline is sourced from PubChem (CID 158674317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).