1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C27H26F3N7O4 — CID 66760396

IUPAC1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCNc1ncc(-c2cnn(C3CCN(C(C)=O)CC3)c2)c2cc(-c3c[nH]c4cnccc34)oc12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25N7O2.C2HF3O2/c1-15(33)31-7-4-17(5-8-31)32-14-16(10-30-32)20-11-29-25(26-2)24-19(20)9-23(34-24)21-12-28-22-13-27-6-3-18(21)22;3-2(4,5)1(6)7/h3,6,9-14,17,28H,4-5,7-8H2,1-2H3,(H,26,29);(H,6,7)
InChIKeyUTGIXICVXQTFNH-UHFFFAOYSA-N
MW569.54 g/mol
LogP5.09
Rot. Bonds4

About 1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-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-(methylamino)-2-(1H-pyrrolo[2,3-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 66760396) has the molecular formula C27H26F3N7O4 and a molecular weight of 569.54 g/mol. Its IUPAC name is 1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-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-(methylamino)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID66760396
Molecular FormulaC27H26F3N7O4
Molecular Weight569.54 g/mol
Exact Mass569.20
IUPAC Name1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCNc1ncc(-c2cnn(C3CCN(C(C)=O)CC3)c2)c2cc(-c3c[nH]c4cnccc34)oc12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25N7O2.C2HF3O2/c1-15(33)31-7-4-17(5-8-31)32-14-16(10-30-32)20-11-29-25(26-2)24-19(20)9-23(34-24)21-12-28-22-13-27-6-3-18(21)22;3-2(4,5)1(6)7/h3,6,9-14,17,28H,4-5,7-8H2,1-2H3,(H,26,29);(H,6,7)
InChIKeyUTGIXICVXQTFNH-UHFFFAOYSA-N
XLogP5.09
TPSA142.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.54
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-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-(methylamino)-2-(1H-pyrrolo[2,3-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-(methylamino)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 66760396) is 1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-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-(methylamino)-2-(1H-pyrrolo[2,3-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-(methylamino)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is CNc1ncc(-c2cnn(C3CCN(C(C)=O)CC3)c2)c2cc(-c3c[nH]c4cnccc34)oc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-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 UTGIXICVXQTFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.C2HF3O2/c1-15(33)31-7-4-17(5-8-31)32-14-16(10-30-32)20-11-29-25(26-2)24-19(20)9-23(34-24)21-12-28-22-13-27-6-3-18(21)22;3-2(4,5)1(6)7/h3,6,9-14,17,28H,4-5,7-8H2,1-2H3,(H,26,29);(H,6,7).
What are the key properties of 1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-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-(methylamino)-2-(1H-pyrrolo[2,3-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 569.54 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-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 66760396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).