2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide

C23H22F3N5O3 — CID 154636367

IUPAC2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1C(=O)N[C@H](C)C(F)(F)F
InChIInChI=1S/C23H22F3N5O3/c1-13(23(24,25)26)29-22(32)21-18(33-3)7-15(8-19(21)34-4)17-11-27-20-9-14(5-6-31(17)20)16-10-28-30(2)12-16/h5-13H,1-4H3,(H,29,32)/t13-/m1/s1
InChIKeyGWZDHUMHTZNQGC-CYBMUJFWSA-N
MW473.46 g/mol
LogP4.10
Rot. Bonds6

About 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide

2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide (PubChem CID 154636367) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
PubChem CID154636367
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1C(=O)N[C@H](C)C(F)(F)F
InChIInChI=1S/C23H22F3N5O3/c1-13(23(24,25)26)29-22(32)21-18(33-3)7-15(8-19(21)34-4)17-11-27-20-9-14(5-6-31(17)20)16-10-28-30(2)12-16/h5-13H,1-4H3,(H,29,32)/t13-/m1/s1
InChIKeyGWZDHUMHTZNQGC-CYBMUJFWSA-N
XLogP4.10
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide (CID 154636367) is 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide is COc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1C(=O)N[C@H](C)C(F)(F)F.
What is the InChIKey of 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
The InChIKey is GWZDHUMHTZNQGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-13(23(24,25)26)29-22(32)21-18(33-3)7-15(8-19(21)34-4)17-11-27-20-9-14(5-6-31(17)20)16-10-28-30(2)12-16/h5-13H,1-4H3,(H,29,32)/t13-/m1/s1.
What are the key properties of 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide?
2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide has a molecular weight of 473.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide is sourced from PubChem (CID 154636367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).