(2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol

C19H17F2N5O — CID 22859138

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol
SMILESC[C@@H](n1cnc2cccnc21)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c1-13(26-12-24-17-3-2-6-23-18(17)26)19(27,10-25-8-7-22-11-25)15-5-4-14(20)9-16(15)21/h2-9,11-13,27H,10H2,1H3/t13-,19-/m1/s1
InChIKeyJIWOBXUGDVKGTB-BFUOFWGJSA-N
MW369.38 g/mol
LogP3.06
Rot. Bonds5

About (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol (PubChem CID 22859138) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol
PubChem CID22859138
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol
SMILESC[C@@H](n1cnc2cccnc21)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c1-13(26-12-24-17-3-2-6-23-18(17)26)19(27,10-25-8-7-22-11-25)15-5-4-14(20)9-16(15)21/h2-9,11-13,27H,10H2,1H3/t13-,19-/m1/s1
InChIKeyJIWOBXUGDVKGTB-BFUOFWGJSA-N
XLogP3.06
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol (CID 22859138) is (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol is C[C@@H](n1cnc2cccnc21)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol?
The InChIKey is JIWOBXUGDVKGTB-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H17F2N5O/c1-13(26-12-24-17-3-2-6-23-18(17)26)19(27,10-25-8-7-22-11-25)15-5-4-14(20)9-16(15)21/h2-9,11-13,27H,10H2,1H3/t13-,19-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol has a molecular weight of 369.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-1-imidazol-1-ylbutan-2-ol is sourced from PubChem (CID 22859138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).