1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine

C239H337N37O — CID 159760802

IUPAC1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC.C.C.C.C1=Cc2ccccc2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2n(n1)CCNC2.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1ccn2cnnc2c1.c1cn2cncc2cn1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C12H13N.2C9H7N.C9H8.11C8H6N2.C7H6N2.C7H5NO.C6H5N3.C6H9N3.C6H5N3.19C4H10.4CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-9-5-8-4-6(9)3-7-1;1-2-8-9-4-3-7-5-6(1)9;1-2-4-9-5-7-8-6(9)3-1;19*1-4(2)3;;;;/h3-9H,1-2H3;2*1-7H;1-6H,7H2;11*1-6H;1-5H,(H,8,9);2*1-5H;1-2,7H,3-5H2;1-5H;19*4H,1-3H3;4*1H4
InChIKeyNEVUPTAFICCHLV-UHFFFAOYSA-N
MW3744.58 g/mol
LogP66.98
Rot. Bonds1

About 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine

1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159760802) has the molecular formula C239H337N37O and a molecular weight of 3744.58 g/mol. Its IUPAC name is 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID159760802
Molecular FormulaC239H337N37O
Molecular Weight3744.58 g/mol
Exact Mass3741.75
IUPAC Name1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC.C.C.C.C1=Cc2ccccc2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2n(n1)CCNC2.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1ccn2cnnc2c1.c1cn2cncc2cn1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C12H13N.2C9H7N.C9H8.11C8H6N2.C7H6N2.C7H5NO.C6H5N3.C6H9N3.C6H5N3.19C4H10.4CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-9-5-8-4-6(9)3-7-1;1-2-8-9-4-3-7-5-6(1)9;1-2-4-9-5-7-8-6(9)3-1;19*1-4(2)3;;;;/h3-9H,1-2H3;2*1-7H;1-6H,7H2;11*1-6H;1-5H,(H,8,9);2*1-5H;1-2,7H,3-5H2;1-5H;19*4H,1-3H3;4*1H4
InChIKeyNEVUPTAFICCHLV-UHFFFAOYSA-N
XLogP66.98
TPSA467.19 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds1
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003744.58
LogP ≤ 566.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

CID 157119212
CID 157119212
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
7-(2,7-dimethyl-3H-benzimidazol-5-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine;6-(5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazin-7-yl)-2,4-dimethyl-1,3-benzoxazole
CID 158781212
2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine
CID 158799670
1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159470995
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739
1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160680315
CID 161018936
CID 161018936
N-(4,6-dimethyl-3-pyridinyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(3-methylbutyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzonitrile;4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzonitrile;N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzoxazol-6-amine;3-methyl-N-(3-pyrazol-1-ylpropyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 161033045
1H-benzimidazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluoro-4-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[3-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,6-naphthyridin-2-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
CID 161678642

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine (CID 159760802) is 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine is C.C.C.C.C1=Cc2ccccc2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2n(n1)CCNC2.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1ccn2cnnc2c1.c1cn2cncc2cn1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1.
What is the InChIKey of 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NEVUPTAFICCHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.2C9H7N.C9H8.11C8H6N2.C7H6N2.C7H5NO.C6H5N3.C6H9N3.C6H5N3.19C4H10.4CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-9-5-8-4-6(9)3-7-1;1-2-8-9-4-3-7-5-6(1)9;1-2-4-9-5-7-8-6(9)3-1;19*1-4(2)3;;;;/h3-9H,1-2H3;2*1-7H;1-6H,7H2;11*1-6H;1-5H,(H,8,9);2*1-5H;1-2,7H,3-5H2;1-5H;19*4H,1-3H3;4*1H4.
What are the key properties of 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine?
1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 3744.58 g/mol, XLogP of 66.98, 1 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;cinnoline;imidazo[1,5-a]pyrazine;1H-indazole;1H-indene;isoquinoline;methane;nonadecakis(2-methylpropane);1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;3-propan-2-ylisoquinoline;quinazoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159760802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).