3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H10F3N9O2S — CID 118256964

IUPAC3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1nc2nccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2[nH]1
InChIInChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-4-20-12-9(6)21-13(18)22-12)8(10(7)29(19,27)28)11-23-25-26-24-11/h1-4H,(H2,19,27,28)(H3,18,20,21,22)(H,23,24,25,26)
InChIKeyMUVOMQQQMNGNCZ-UHFFFAOYSA-N
MW425.36 g/mol
LogP1.05
Rot. Bonds3

About 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118256964) has the molecular formula C14H10F3N9O2S and a molecular weight of 425.36 g/mol. Its IUPAC name is 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118256964
Molecular FormulaC14H10F3N9O2S
Molecular Weight425.36 g/mol
Exact Mass425.06
IUPAC Name3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1nc2nccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2[nH]1
InChIInChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-4-20-12-9(6)21-13(18)22-12)8(10(7)29(19,27)28)11-23-25-26-24-11/h1-4H,(H2,19,27,28)(H3,18,20,21,22)(H,23,24,25,26)
InChIKeyMUVOMQQQMNGNCZ-UHFFFAOYSA-N
XLogP1.05
TPSA182.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-6-(azetidin-3-ylsulfanyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135176882
3-(4-amino-2-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 130237841
3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 122687759
2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257203
3-(2-amino-1,3-benzothiazol-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266297
3-(4-piperazin-1-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266386
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118265996
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266006
3-[4-[1-(3-aminocyclobutyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266049
6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 122694364
3-[4-(7-azaspiro[3.5]nonan-2-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266296

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118256964) is 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1nc2nccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2[nH]1.
What is the InChIKey of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MUVOMQQQMNGNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-4-20-12-9(6)21-13(18)22-12)8(10(7)29(19,27)28)11-23-25-26-24-11/h1-4H,(H2,19,27,28)(H3,18,20,21,22)(H,23,24,25,26).
What are the key properties of 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 425.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118256964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).