4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane

C32H38F5N5 — CID 145199507

About 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane

4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane (PubChem CID 145199507) has the molecular formula C32H38F5N5 and a molecular weight of 587.68 g/mol. Its IUPAC name is 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane.

Molecular Properties

• Compound Name: 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane
• PubChem CID: 145199507
• Molecular Formula: C32H38F5N5
• Molecular Weight: 587.68 g/mol
• Exact Mass: 587.30
• IUPAC Name: 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane
• SMILES: CC1CC(F)(F)C1.CC1CC(N)CN(c2ccncc2NCc2ccc(F)c(-c3c(F)cc(C4CCC4)cc3F)n2)C1
• InChI: InChI=1S/C27H30F3N5.C5H8F2/c1-16-9-19(31)15-35(14-16)25-7-8-32-13-24(25)33-12-20-5-6-21(28)27(34-20)26-22(29)10-18(11-23(26)30)17-3-2-4-17;1-4-2-5(6,7)3-4/h5-8,10-11,13,16-17,19,33H,2-4,9,12,14-15,31H2,1H3;4H,2-3H2,1H3
• InChIKey: DOMFGOWITJLAJI-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 67.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.68
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane?

The IUPAC name of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane (CID 145199507) is 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane.

What is the SMILES notation for 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane?

The canonical SMILES for 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane is CC1CC(F)(F)C1.CC1CC(N)CN(c2ccncc2NCc2ccc(F)c(-c3c(F)cc(C4CCC4)cc3F)n2)C1.

What is the InChIKey of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane?

The InChIKey is DOMFGOWITJLAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5.C5H8F2/c1-16-9-19(31)15-35(14-16)25-7-8-32-13-24(25)33-12-20-5-6-21(28)27(34-20)26-22(29)10-18(11-23(26)30)17-3-2-4-17;1-4-2-5(6,7)3-4/h5-8,10-11,13,16-17,19,33H,2-4,9,12,14-15,31H2,1H3;4H,2-3H2,1H3.

What are the key properties of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane?

4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane has a molecular weight of 587.68 g/mol, XLogP of 7.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane is sourced from PubChem (CID 145199507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).