N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C20H17F3N6O2 — CID 122445657

IUPACN-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)Nc1ncc[nH]1
InChIInChI=1S/C20H17F3N6O2/c21-20(22,23)31-14-5-3-13(4-6-14)12-29-16(27-15-2-1-9-24-18(15)29)7-8-17(30)28-19-25-10-11-26-19/h1-6,9-11H,7-8,12H2,(H2,25,26,28,30)
InChIKeyTZNJPKPSCPTNER-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.67
Rot. Bonds7

About N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122445657) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID122445657
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC NameN-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)Nc1ncc[nH]1
InChIInChI=1S/C20H17F3N6O2/c21-20(22,23)31-14-5-3-13(4-6-14)12-29-16(27-15-2-1-9-24-18(15)29)7-8-17(30)28-19-25-10-11-26-19/h1-6,9-11H,7-8,12H2,(H2,25,26,28,30)
InChIKeyTZNJPKPSCPTNER-UHFFFAOYSA-N
XLogP3.67
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 122445657) is N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is TZNJPKPSCPTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c21-20(22,23)31-14-5-3-13(4-6-14)12-29-16(27-15-2-1-9-24-18(15)29)7-8-17(30)28-19-25-10-11-26-19/h1-6,9-11H,7-8,12H2,(H2,25,26,28,30).
What are the key properties of N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 430.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).