azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine

C26H28N6O — CID 172692287

IUPACazane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
SMILESN.c1ccc(COc2ccc(C3(c4ccc(-c5nn[nH]n5)cc4)CC4CCC3C4)cc2)nc1
InChIInChI=1S/C26H25N5O.H3N/c1-2-14-27-23(3-1)17-32-24-12-10-21(11-13-24)26(16-18-4-7-22(26)15-18)20-8-5-19(6-9-20)25-28-30-31-29-25;/h1-3,5-6,8-14,18,22H,4,7,15-17H2,(H,28,29,30,31);1H3
InChIKeyBVNBEPKKWLKWQK-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.11
Rot. Bonds6

About azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine

azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine (PubChem CID 172692287) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Nameazane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
PubChem CID172692287
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Nameazane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
SMILESN.c1ccc(COc2ccc(C3(c4ccc(-c5nn[nH]n5)cc4)CC4CCC3C4)cc2)nc1
InChIInChI=1S/C26H25N5O.H3N/c1-2-14-27-23(3-1)17-32-24-12-10-21(11-13-24)26(16-18-4-7-22(26)15-18)20-8-5-19(6-9-20)25-28-30-31-29-25;/h1-3,5-6,8-14,18,22H,4,7,15-17H2,(H,28,29,30,31);1H3
InChIKeyBVNBEPKKWLKWQK-UHFFFAOYSA-N
XLogP5.11
TPSA111.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(1S,2R,4R)-2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]-1,3-thiazole
CID 66864490
2-[[4-[(1S,2S,4R)-2-[4-[2-(difluoromethyl)tetrazol-5-yl]phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
CID 66863829
5-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 58095640
[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol
CID 58095659
5-(difluoromethyl)-3-[4-[(1S,2S,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,2,4-oxadiazole
CID 66863705
2-[[4-[(2S)-2-[4-(1-methoxyethenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine
CID 58095703
3-methyl-5-[4-[(1R,2R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-one
CID 25261041
[[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzoyl]amino]thiourea
CID 86649617
N-[(1-hydroxycyclopropyl)methyl]-4-[(1S,2R,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66864463
N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine
CID 66864682
3-(dimethylamino)-1-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]prop-2-en-1-one
CID 66863751
3-(dimethylamino)-1-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]prop-2-en-1-one
CID 123800423

Frequently Asked Questions

What is the IUPAC name of azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine?
The IUPAC name of azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine (CID 172692287) is azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine.
What is the SMILES notation for azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine?
The canonical SMILES for azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine is N.c1ccc(COc2ccc(C3(c4ccc(-c5nn[nH]n5)cc4)CC4CCC3C4)cc2)nc1.
What is the InChIKey of azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine?
The InChIKey is BVNBEPKKWLKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.H3N/c1-2-14-27-23(3-1)17-32-24-12-10-21(11-13-24)26(16-18-4-7-22(26)15-18)20-8-5-19(6-9-20)25-28-30-31-29-25;/h1-3,5-6,8-14,18,22H,4,7,15-17H2,(H,28,29,30,31);1H3.
What are the key properties of azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine?
azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine has a molecular weight of 440.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 172692287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).