N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C26H28F2N8O — CID 171758768

About N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758768) has the molecular formula C26H28F2N8O and a molecular weight of 506.56 g/mol. Its IUPAC name is N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758768
• Molecular Formula: C26H28F2N8O
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.24
• IUPAC Name: N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc(C2CC2C(=O)Nc2cc(NCc3ccc(N4CC5C(C4)C5(F)F)nc3C)nc(C)n2)n1
• InChI: InChI=1S/C26H28F2N8O/c1-13-6-7-29-24(31-13)17-8-18(17)25(37)35-22-9-21(33-15(3)34-22)30-10-16-4-5-23(32-14(16)2)36-11-19-20(12-36)26(19,27)28/h4-7,9,17-20H,8,10-12H2,1-3H3,(H2,30,33,34,35,37)
• InChIKey: YLKVHUNUQQITBT-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 108.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758768) is N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(NCc3ccc(N4CC5C(C4)C5(F)F)nc3C)nc(C)n2)n1.

What is the InChIKey of N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is YLKVHUNUQQITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N8O/c1-13-6-7-29-24(31-13)17-8-18(17)25(37)35-22-9-21(33-15(3)34-22)30-10-16-4-5-23(32-14(16)2)36-11-19-20(12-36)26(19,27)28/h4-7,9,17-20H,8,10-12H2,1-3H3,(H2,30,33,34,35,37).

What are the key properties of N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).