1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C266H366N32O — CID 165021414

IUPAC1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=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)C.CC(C)C.CC(C)C.c1cc2n(n1)CCCC2.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.c1cnc2nccn2c1
InChIInChI=1S/C10H8.8C9H7N.C9H8.4C8H6N2.C8H7N.C7H10N2.3C7H6N2.C7H5NO.2C6H5N3.22C4H10/c1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-5-7-8-6(9)3-1;22*1-4(2)3/h1-8H;8*1-7H;1-6H,7H2;4*1-6H;1-7H;4-5H,1-3,6H2;2*1-6H;1-5H,(H,8,9);3*1-5H;22*4H,1-3H3
InChIKeyLFGKMLTUXFQDMX-UHFFFAOYSA-N
MW4028.08 g/mol
LogP76.74
Rot. Bonds

About 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 165021414) has the molecular formula C266H366N32O and a molecular weight of 4028.08 g/mol. Its IUPAC name is 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID165021414
Molecular FormulaC266H366N32O
Molecular Weight4028.08 g/mol
Exact Mass4024.96
IUPAC Name1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=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)C.CC(C)C.CC(C)C.c1cc2n(n1)CCCC2.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.c1cnc2nccn2c1
InChIInChI=1S/C10H8.8C9H7N.C9H8.4C8H6N2.C8H7N.C7H10N2.3C7H6N2.C7H5NO.2C6H5N3.22C4H10/c1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-5-7-8-6(9)3-1;22*1-4(2)3/h1-8H;8*1-7H;1-6H,7H2;4*1-6H;1-7H;4-5H,1-3,6H2;2*1-6H;1-5H,(H,8,9);3*1-5H;22*4H,1-3H3
InChIKeyLFGKMLTUXFQDMX-UHFFFAOYSA-N
XLogP76.74
TPSA378.16 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms299
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004028.08
LogP ≤ 576.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 165021414) is 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is 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)C.CC(C)C.CC(C)C.c1cc2n(n1)CCCC2.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.c1cnc2nccn2c1.
What is the InChIKey of 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LFGKMLTUXFQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.8C9H7N.C9H8.4C8H6N2.C8H7N.C7H10N2.3C7H6N2.C7H5NO.2C6H5N3.22C4H10/c1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-5-7-8-6(9)3-1;22*1-4(2)3/h1-8H;8*1-7H;1-6H,7H2;4*1-6H;1-7H;4-5H,1-3,6H2;2*1-6H;1-5H,(H,8,9);3*1-5H;22*4H,1-3H3.
What are the key properties of 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4028.08 g/mol, XLogP of 76.74, 0 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 165021414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).