1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone

C25H25N5O3 — CID 66760608

IUPAC1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1
InChIInChI=1S/C25H25N5O3/c1-15(31)17-4-3-5-18(10-17)23-11-21-22(13-27-25(26)24(21)33-23)19-12-28-30(14-19)20-6-8-29(9-7-20)16(2)32/h3-5,10-14,20H,6-9H2,1-2H3,(H2,26,27)
InChIKeyYFLVYRZPBYQPON-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.33
Rot. Bonds4

About 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone

1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone (PubChem CID 66760608) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone
PubChem CID66760608
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1
InChIInChI=1S/C25H25N5O3/c1-15(31)17-4-3-5-18(10-17)23-11-21-22(13-27-25(26)24(21)33-23)19-12-28-30(14-19)20-6-8-29(9-7-20)16(2)32/h3-5,10-14,20H,6-9H2,1-2H3,(H2,26,27)
InChIKeyYFLVYRZPBYQPON-UHFFFAOYSA-N
XLogP4.33
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone (CID 66760608) is 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1.
What is the InChIKey of 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone?
The InChIKey is YFLVYRZPBYQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15(31)17-4-3-5-18(10-17)23-11-21-22(13-27-25(26)24(21)33-23)19-12-28-30(14-19)20-6-8-29(9-7-20)16(2)32/h3-5,10-14,20H,6-9H2,1-2H3,(H2,26,27).
What are the key properties of 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone?
1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]ethanone is sourced from PubChem (CID 66760608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).