4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

C22H21F3N6O3 — CID 154636338

IUPAC4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCn1cc(-c2cnc3c(c2)ncn3-c2cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c2)cn1
InChIInChI=1S/C22H21F3N6O3/c1-4-30-10-14(9-29-30)13-5-16-20(26-8-13)31(12-28-16)15-6-17(33-2)19(18(7-15)34-3)21(32)27-11-22(23,24)25/h5-10,12H,4,11H2,1-3H3,(H,27,32)
InChIKeyHISAZYJIGDQLNI-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.61
Rot. Bonds7

About 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 154636338) has the molecular formula C22H21F3N6O3 and a molecular weight of 474.44 g/mol. Its IUPAC name is 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID154636338
Molecular FormulaC22H21F3N6O3
Molecular Weight474.44 g/mol
Exact Mass474.16
IUPAC Name4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCn1cc(-c2cnc3c(c2)ncn3-c2cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c2)cn1
InChIInChI=1S/C22H21F3N6O3/c1-4-30-10-14(9-29-30)13-5-16-20(26-8-13)31(12-28-16)15-6-17(33-2)19(18(7-15)34-3)21(32)27-11-22(23,24)25/h5-10,12H,4,11H2,1-3H3,(H,27,32)
InChIKeyHISAZYJIGDQLNI-UHFFFAOYSA-N
XLogP3.61
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 154636338) is 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is CCn1cc(-c2cnc3c(c2)ncn3-c2cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c2)cn1.
What is the InChIKey of 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HISAZYJIGDQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O3/c1-4-30-10-14(9-29-30)13-5-16-20(26-8-13)31(12-28-16)15-6-17(33-2)19(18(7-15)34-3)21(32)27-11-22(23,24)25/h5-10,12H,4,11H2,1-3H3,(H,27,32).
What are the key properties of 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 474.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-ethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 154636338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).