(2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone

C27H28F3N3O3 — CID 134296542

IUPAC(2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC4(F)F)CC3(C)C)oc12
InChIInChI=1S/C27H28F3N3O3/c1-15(2)18-11-20(16-5-7-17(28)8-6-16)31-21-12-22(36-23(18)21)25(35)33-10-9-32(14-26(33,3)4)24(34)19-13-27(19,29)30/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3
InChIKeyMJEMIICOEQABOS-UHFFFAOYSA-N
MW499.53 g/mol
LogP5.48
Rot. Bonds4

About (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone

(2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone (PubChem CID 134296542) has the molecular formula C27H28F3N3O3 and a molecular weight of 499.53 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone
PubChem CID134296542
Molecular FormulaC27H28F3N3O3
Molecular Weight499.53 g/mol
Exact Mass499.21
IUPAC Name(2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC4(F)F)CC3(C)C)oc12
InChIInChI=1S/C27H28F3N3O3/c1-15(2)18-11-20(16-5-7-17(28)8-6-16)31-21-12-22(36-23(18)21)25(35)33-10-9-32(14-26(33,3)4)24(34)19-13-27(19,29)30/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3
InChIKeyMJEMIICOEQABOS-UHFFFAOYSA-N
XLogP5.48
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-1-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxybutan-1-one
CID 134296539
[4-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
CID 140846219
tert-butyl (2S)-4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 134296926
tert-butyl (3S)-4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3-methylpiperazine-1-carboxylate
CID 134296550
(2S)-1-[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxybutan-1-one;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxolan-3-yl)methanone
CID 159864117
[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[(2R)-4-(1-hydroxycyclobutanecarbonyl)-2-methylpiperazin-1-yl]methanone
CID 122573991
[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573881
4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122574187
4-[7-tert-butyl-5-[4-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573933
4-[7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573851
7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122574086
4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 122573910

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone (CID 134296542) is (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone is CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC4(F)F)CC3(C)C)oc12.
What is the InChIKey of (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
The InChIKey is MJEMIICOEQABOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3/c1-15(2)18-11-20(16-5-7-17(28)8-6-16)31-21-12-22(36-23(18)21)25(35)33-10-9-32(14-26(33,3)4)24(34)19-13-27(19,29)30/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3.
What are the key properties of (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
(2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone has a molecular weight of 499.53 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 134296542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).