4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid

C20H15F3N6O3 — CID 66760123

IUPAC4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cnc(N)c3oc(-c4c[nH]c5cnccc45)cc23)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14N6O.C2HF3O2/c1-24-9-10(5-23-24)13-6-22-18(19)17-12(13)4-16(25-17)14-7-21-15-8-20-3-2-11(14)15;3-2(4,5)1(6)7/h2-9,21H,1H3,(H2,19,22);(H,6,7)
InChIKeyAKLQIPDQGFZXDT-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.99
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid

4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid (PubChem CID 66760123) has the molecular formula C20H15F3N6O3 and a molecular weight of 444.37 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid
PubChem CID66760123
Molecular FormulaC20H15F3N6O3
Molecular Weight444.37 g/mol
Exact Mass444.12
IUPAC Name4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cnc(N)c3oc(-c4c[nH]c5cnccc45)cc23)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14N6O.C2HF3O2/c1-24-9-10(5-23-24)13-6-22-18(19)17-12(13)4-16(25-17)14-7-21-15-8-20-3-2-11(14)15;3-2(4,5)1(6)7/h2-9,21H,1H3,(H2,19,22);(H,6,7)
InChIKeyAKLQIPDQGFZXDT-UHFFFAOYSA-N
XLogP3.99
TPSA135.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid (CID 66760123) is 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid is Cn1cc(-c2cnc(N)c3oc(-c4c[nH]c5cnccc45)cc23)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AKLQIPDQGFZXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O.C2HF3O2/c1-24-9-10(5-23-24)13-6-22-18(19)17-12(13)4-16(25-17)14-7-21-15-8-20-3-2-11(14)15;3-2(4,5)1(6)7/h2-9,21H,1H3,(H2,19,22);(H,6,7).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid?
4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid has a molecular weight of 444.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66760123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).