(4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone

C25H29ClFN3O2 — CID 122574015

IUPAC(4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone
SMILESCC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCC(N)CC3(C)C)oc12
InChIInChI=1S/C25H29ClFN3O2/c1-24(2,3)16-11-19(14-6-7-17(26)18(27)10-14)29-20-12-21(32-22(16)20)23(31)30-9-8-15(28)13-25(30,4)5/h6-7,10-12,15H,8-9,13,28H2,1-5H3
InChIKeyFNZAHSOHNQUYPR-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.93
Rot. Bonds2

About (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone

(4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone (PubChem CID 122574015) has the molecular formula C25H29ClFN3O2 and a molecular weight of 457.98 g/mol. Its IUPAC name is (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone
PubChem CID122574015
Molecular FormulaC25H29ClFN3O2
Molecular Weight457.98 g/mol
Exact Mass457.19
IUPAC Name(4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone
SMILESCC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCC(N)CC3(C)C)oc12
InChIInChI=1S/C25H29ClFN3O2/c1-24(2,3)16-11-19(14-6-7-17(26)18(27)10-14)29-20-12-21(32-22(16)20)23(31)30-9-8-15(28)13-25(30,4)5/h6-7,10-12,15H,8-9,13,28H2,1-5H3
InChIKeyFNZAHSOHNQUYPR-UHFFFAOYSA-N
XLogP5.93
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-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

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone?
The IUPAC name of (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone (CID 122574015) is (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone.
What is the SMILES notation for (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone?
The canonical SMILES for (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone is CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCC(N)CC3(C)C)oc12.
What is the InChIKey of (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone?
The InChIKey is FNZAHSOHNQUYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN3O2/c1-24(2,3)16-11-19(14-6-7-17(26)18(27)10-14)29-20-12-21(32-22(16)20)23(31)30-9-8-15(28)13-25(30,4)5/h6-7,10-12,15H,8-9,13,28H2,1-5H3.
What are the key properties of (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone?
(4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone has a molecular weight of 457.98 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,2-dimethylpiperidin-1-yl)-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]methanone is sourced from PubChem (CID 122574015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).