3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C21H19F3N6O3 — CID 146275467

IUPAC3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cnc3cc(OCc4ccnn4C)ccn23)cnc1C(=O)NCC(F)(F)F
InChIInChI=1S/C21H19F3N6O3/c1-29-14(3-5-28-29)11-33-15-4-6-30-16(10-25-18(30)8-15)13-7-17(32-2)19(26-9-13)20(31)27-12-21(22,23)24/h3-10H,11-12H2,1-2H3,(H,27,31)
InChIKeyPBJZMXDRKIAQQL-UHFFFAOYSA-N
MW460.42 g/mol
LogP3.01
Rot. Bonds7

About 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 146275467) has the molecular formula C21H19F3N6O3 and a molecular weight of 460.42 g/mol. Its IUPAC name is 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID146275467
Molecular FormulaC21H19F3N6O3
Molecular Weight460.42 g/mol
Exact Mass460.15
IUPAC Name3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cnc3cc(OCc4ccnn4C)ccn23)cnc1C(=O)NCC(F)(F)F
InChIInChI=1S/C21H19F3N6O3/c1-29-14(3-5-28-29)11-33-15-4-6-30-16(10-25-18(30)8-15)13-7-17(32-2)19(26-9-13)20(31)27-12-21(22,23)24/h3-10H,11-12H2,1-2H3,(H,27,31)
InChIKeyPBJZMXDRKIAQQL-UHFFFAOYSA-N
XLogP3.01
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 146275467) is 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is COc1cc(-c2cnc3cc(OCc4ccnn4C)ccn23)cnc1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is PBJZMXDRKIAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O3/c1-29-14(3-5-28-29)11-33-15-4-6-30-16(10-25-18(30)8-15)13-7-17(32-2)19(26-9-13)20(31)27-12-21(22,23)24/h3-10H,11-12H2,1-2H3,(H,27,31).
What are the key properties of 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146275467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).