methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid

C20H24F3N5O5 — CID 166296235

IUPACmethyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1C[C@H](C)c3nc(C)cn3C1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O3.C2HF3O2/c1-10-6-12(8-23-7-11(2)19-16(10)23)17(24)22-5-4-14-13(9-22)15(21-20-14)18(25)26-3;3-2(4,5)1(6)7/h7,10,12H,4-6,8-9H2,1-3H3,(H,20,21);(H,6,7)/t10-,12+;/m0./s1
InChIKeyMYSOPDZRFJHYKG-XOZOLZJESA-N
MW471.44 g/mol
LogP2.04
Rot. Bonds2

About methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid

methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 166296235) has the molecular formula C20H24F3N5O5 and a molecular weight of 471.44 g/mol. Its IUPAC name is methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID166296235
Molecular FormulaC20H24F3N5O5
Molecular Weight471.44 g/mol
Exact Mass471.17
IUPAC Namemethyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1C[C@H](C)c3nc(C)cn3C1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O3.C2HF3O2/c1-10-6-12(8-23-7-11(2)19-16(10)23)17(24)22-5-4-14-13(9-22)15(21-20-14)18(25)26-3;3-2(4,5)1(6)7/h7,10,12H,4-6,8-9H2,1-3H3,(H,20,21);(H,6,7)/t10-,12+;/m0./s1
InChIKeyMYSOPDZRFJHYKG-XOZOLZJESA-N
XLogP2.04
TPSA130.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid (CID 166296235) is methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid is COC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1C[C@H](C)c3nc(C)cn3C1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is MYSOPDZRFJHYKG-XOZOLZJESA-N. The full InChI is InChI=1S/C18H23N5O3.C2HF3O2/c1-10-6-12(8-23-7-11(2)19-16(10)23)17(24)22-5-4-14-13(9-22)15(21-20-14)18(25)26-3;3-2(4,5)1(6)7/h7,10,12H,4-6,8-9H2,1-3H3,(H,20,21);(H,6,7)/t10-,12+;/m0./s1.
What are the key properties of methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 471.44 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166296235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).