1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C25H23FN6O2 — CID 66760577

IUPAC1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5c[nH]c6cc(F)ccc56)cc34)cn2)CC1
InChIInChI=1S/C25H23FN6O2/c1-14(33)31-6-4-17(5-7-31)32-13-15(10-30-32)20-11-29-25(27)24-19(20)9-23(34-24)21-12-28-22-8-16(26)2-3-18(21)22/h2-3,8-13,17,28H,4-7H2,1H3,(H2,27,29)
InChIKeyPKNOMUVMOVRGHB-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.74
Rot. Bonds3

About 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760577) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66760577
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5c[nH]c6cc(F)ccc56)cc34)cn2)CC1
InChIInChI=1S/C25H23FN6O2/c1-14(33)31-6-4-17(5-7-31)32-13-15(10-30-32)20-11-29-25(27)24-19(20)9-23(34-24)21-12-28-22-8-16(26)2-3-18(21)22/h2-3,8-13,17,28H,4-7H2,1H3,(H2,27,29)
InChIKeyPKNOMUVMOVRGHB-UHFFFAOYSA-N
XLogP4.74
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760577) is 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5c[nH]c6cc(F)ccc56)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is PKNOMUVMOVRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-14(33)31-6-4-17(5-7-31)32-13-15(10-30-32)20-11-29-25(27)24-19(20)9-23(34-24)21-12-28-22-8-16(26)2-3-18(21)22/h2-3,8-13,17,28H,4-7H2,1H3,(H2,27,29).
What are the key properties of 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 458.50 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).