N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C20H20F5N5O5 — CID 155749135

IUPACN-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccn(C(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19F2N5O3.C2HF3O2/c1-27-14-8-16-21-13(11-3-6-28-7-4-11)10-24(16)9-12(14)17(26)22-15-2-5-25(23-15)18(19)20;3-2(4,5)1(6)7/h2,5,8-11,18H,3-4,6-7H2,1H3,(H,22,23,26);(H,6,7)
InChIKeyGMNGCJIVSBCJGR-UHFFFAOYSA-N
MW505.40 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155749135) has the molecular formula C20H20F5N5O5 and a molecular weight of 505.40 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155749135
Molecular FormulaC20H20F5N5O5
Molecular Weight505.40 g/mol
Exact Mass505.14
IUPAC NameN-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccn(C(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19F2N5O3.C2HF3O2/c1-27-14-8-16-21-13(11-3-6-28-7-4-11)10-24(16)9-12(14)17(26)22-15-2-5-25(23-15)18(19)20;3-2(4,5)1(6)7/h2,5,8-11,18H,3-4,6-7H2,1H3,(H,22,23,26);(H,6,7)
InChIKeyGMNGCJIVSBCJGR-UHFFFAOYSA-N
XLogP3.71
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155749135) is N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is COc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccn(C(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GMNGCJIVSBCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O3.C2HF3O2/c1-27-14-8-16-21-13(11-3-6-28-7-4-11)10-24(16)9-12(14)17(26)22-15-2-5-25(23-15)18(19)20;3-2(4,5)1(6)7/h2,5,8-11,18H,3-4,6-7H2,1H3,(H,22,23,26);(H,6,7).
What are the key properties of N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 505.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155749135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).