1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole

C29H23N5O2 — CID 159870256

IUPAC1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole
SMILESc1c[nH]c2cccc-2c1.c1cc2ccocc-2n1.c1ccc2[nH]ncc2c1.c1ccc2oncc2c1
InChIInChI=1S/C8H7N.C7H6N2.2C7H5NO/c1-3-7-4-2-6-9-8(7)5-1;1-2-4-7-6(3-1)5-8-9-7;1-3-8-7-5-9-4-2-6(1)7;1-2-4-7-6(3-1)5-8-9-7/h1-6,9H;1-5H,(H,8,9);2*1-5H
InChIKeyNSGGHHLHPAEMSC-UHFFFAOYSA-N
MW473.54 g/mol
LogP7.29
Rot. Bonds

About 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole

1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole (PubChem CID 159870256) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole.

Molecular Properties

Compound Name1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole
PubChem CID159870256
Molecular FormulaC29H23N5O2
Molecular Weight473.54 g/mol
Exact Mass473.19
IUPAC Name1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole
SMILESc1c[nH]c2cccc-2c1.c1cc2ccocc-2n1.c1ccc2[nH]ncc2c1.c1ccc2oncc2c1
InChIInChI=1S/C8H7N.C7H6N2.2C7H5NO/c1-3-7-4-2-6-9-8(7)5-1;1-2-4-7-6(3-1)5-8-9-7;1-3-8-7-5-9-4-2-6(1)7;1-2-4-7-6(3-1)5-8-9-7/h1-6,9H;1-5H,(H,8,9);2*1-5H
InChIKeyNSGGHHLHPAEMSC-UHFFFAOYSA-N
XLogP7.29
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran;1H-indazole
CID 121363040
sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
1H-indazole;ruthenium(3+)
CID 158942897
1H-indazole;hydrate;hydrochloride
CID 140981891
1H-indazole;methylsulfinylmethane;osmium;tetrachloride
CID 25015525
1H-indazole;quinoline
CID 67837536
CID 142869104
CID 142869104
2H-benzotriazole;1H-indazole
CID 67829354
5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,2-benzoxazole
CID 10244433
5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole
CID 159145733
sodium;bis(1H-indazole);tetrachlororuthenium(1-)
CID 25134754
1H-indazole;thiocarbonyl dichloride
CID 131733696

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole?
The IUPAC name of 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole (CID 159870256) is 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole.
What is the SMILES notation for 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole?
The canonical SMILES for 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole is c1c[nH]c2cccc-2c1.c1cc2ccocc-2n1.c1ccc2[nH]ncc2c1.c1ccc2oncc2c1.
What is the InChIKey of 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole?
The InChIKey is NSGGHHLHPAEMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H6N2.2C7H5NO/c1-3-7-4-2-6-9-8(7)5-1;1-2-4-7-6(3-1)5-8-9-7;1-3-8-7-5-9-4-2-6(1)7;1-2-4-7-6(3-1)5-8-9-7/h1-6,9H;1-5H,(H,8,9);2*1-5H.
What are the key properties of 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole?
1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole has a molecular weight of 473.54 g/mol, XLogP of 7.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazole;1H-cyclopenta[b]pyridine;1H-indazole;pyrano[3,4-b]pyrrole is sourced from PubChem (CID 159870256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).