1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C26H25F3N8O4 — CID 66760631

IUPAC1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5nn(C)c6cnccc56)cc34)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N8O2.C2HF3O2/c1-14(33)31-7-4-16(5-8-31)32-13-15(10-28-32)19-11-27-24(25)23-18(19)9-21(34-23)22-17-3-6-26-12-20(17)30(2)29-22;3-2(4,5)1(6)7/h3,6,9-13,16H,4-5,7-8H2,1-2H3,(H2,25,27);(H,6,7)
InChIKeyQVKHDNOAZWOXQK-UHFFFAOYSA-N
MW570.53 g/mol
LogP4.04
Rot. Bonds3

About 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 66760631) has the molecular formula C26H25F3N8O4 and a molecular weight of 570.53 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID66760631
Molecular FormulaC26H25F3N8O4
Molecular Weight570.53 g/mol
Exact Mass570.20
IUPAC Name1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5nn(C)c6cnccc56)cc34)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N8O2.C2HF3O2/c1-14(33)31-7-4-16(5-8-31)32-13-15(10-28-32)19-11-27-24(25)23-18(19)9-21(34-23)22-17-3-6-26-12-20(17)30(2)29-22;3-2(4,5)1(6)7/h3,6,9-13,16H,4-5,7-8H2,1-2H3,(H2,25,27);(H,6,7)
InChIKeyQVKHDNOAZWOXQK-UHFFFAOYSA-N
XLogP4.04
TPSA158.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 66760631) is 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5nn(C)c6cnccc56)cc34)cn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is QVKHDNOAZWOXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2.C2HF3O2/c1-14(33)31-7-4-16(5-8-31)32-13-15(10-28-32)19-11-27-24(25)23-18(19)9-21(34-23)22-17-3-6-26-12-20(17)30(2)29-22;3-2(4,5)1(6)7/h3,6,9-13,16H,4-5,7-8H2,1-2H3,(H2,25,27);(H,6,7).
What are the key properties of 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 570.53 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-(1-methylpyrazolo[5,4-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66760631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).