(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid

C24H24FN3O4 — CID 122573985

IUPAC(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)CCN1C(=O)O
InChIInChI=1S/C24H24FN3O4/c1-14-13-27(9-10-28(14)23(30)31)22(29)20-12-19-21(32-20)17(24(2)7-8-24)11-18(26-19)15-3-5-16(25)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,30,31)/t14-/m0/s1
InChIKeyNTVYIMXNYPDUDY-AWEZNQCLSA-N
MW437.47 g/mol
LogP4.51
Rot. Bonds3

About (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid

(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid (PubChem CID 122573985) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid
PubChem CID122573985
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)CCN1C(=O)O
InChIInChI=1S/C24H24FN3O4/c1-14-13-27(9-10-28(14)23(30)31)22(29)20-12-19-21(32-20)17(24(2)7-8-24)11-18(26-19)15-3-5-16(25)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,30,31)/t14-/m0/s1
InChIKeyNTVYIMXNYPDUDY-AWEZNQCLSA-N
XLogP4.51
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid 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 (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid (CID 122573985) is (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid is C[C@H]1CN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C4(C)CC4)c3o2)CCN1C(=O)O.
What is the InChIKey of (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid?
The InChIKey is NTVYIMXNYPDUDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-14-13-27(9-10-28(14)23(30)31)22(29)20-12-19-21(32-20)17(24(2)7-8-24)11-18(26-19)15-3-5-16(25)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,30,31)/t14-/m0/s1.
What are the key properties of (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid?
(2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid has a molecular weight of 437.47 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 122573985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).