6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine

C26H20ClN7O — CID 177366931

IUPAC6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2-c2nn[nH]n2)c2oc3c(-c4ccccc4)ccnc3c2c1
InChIInChI=1S/C26H20ClN7O/c1-14-12-18(15(2)29-20-8-9-21(27)30-23(20)26-31-33-34-32-26)24-19(13-14)22-25(35-24)17(10-11-28-22)16-6-4-3-5-7-16/h3-13,15,29H,1-2H3,(H,31,32,33,34)/t15-/m1/s1
InChIKeyVHERFPAZDVHCSC-OAHLLOKOSA-N
MW481.95 g/mol
LogP6.36
Rot. Bonds5

About 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine

6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine (PubChem CID 177366931) has the molecular formula C26H20ClN7O and a molecular weight of 481.95 g/mol. Its IUPAC name is 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine
PubChem CID177366931
Molecular FormulaC26H20ClN7O
Molecular Weight481.95 g/mol
Exact Mass481.14
IUPAC Name6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2-c2nn[nH]n2)c2oc3c(-c4ccccc4)ccnc3c2c1
InChIInChI=1S/C26H20ClN7O/c1-14-12-18(15(2)29-20-8-9-21(27)30-23(20)26-31-33-34-32-26)24-19(13-14)22-25(35-24)17(10-11-28-22)16-6-4-3-5-7-16/h3-13,15,29H,1-2H3,(H,31,32,33,34)/t15-/m1/s1
InChIKeyVHERFPAZDVHCSC-OAHLLOKOSA-N
XLogP6.36
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.95
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine with MolForge

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Related Compounds

methyl 6-chloro-3-[1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethylamino]pyridine-2-carboxylate
CID 177366659
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
ethane;4-fluoro-N-[1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-methylsulfanylaniline
CID 177366674
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]ethyl]chromen-4-one
CID 170415790
8-[(1R)-1-[[6-chloro-2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 176864590
3-[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 169270762
8-[(1R)-1-[[6-chloro-2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyrimidin-2-ylchromen-4-one
CID 169270075
2-[[(1R)-1-[8-methyl-4-(2-methyl-1,3-thiazol-5-yl)-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]amino]benzoic acid
CID 177366782
6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine
CID 177366777
3-[6-chloro-3-[[(1R)-1-[2-(4-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 169270441
3,6-dimethyl-2-(1-methylpyrrol-3-yl)-8-[(1R)-1-[2-(2H-tetrazol-5-yl)anilino]ethyl]chromen-4-one
CID 174170721
2-[[(1R)-1-[4-(3,6-dihydro-2H-pyran-4-yl)-8-methyl-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]amino]benzoic acid
CID 177366934

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine?
The IUPAC name of 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine (CID 177366931) is 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2-c2nn[nH]n2)c2oc3c(-c4ccccc4)ccnc3c2c1.
What is the InChIKey of 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine?
The InChIKey is VHERFPAZDVHCSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H20ClN7O/c1-14-12-18(15(2)29-20-8-9-21(27)30-23(20)26-31-33-34-32-26)24-19(13-14)22-25(35-24)17(10-11-28-22)16-6-4-3-5-7-16/h3-13,15,29H,1-2H3,(H,31,32,33,34)/t15-/m1/s1.
What are the key properties of 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine?
6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine has a molecular weight of 481.95 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 177366931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).