N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane

C25H29F2N7 — CID 145344062

About N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane

N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane (PubChem CID 145344062) has the molecular formula C25H29F2N7 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane.

Molecular Properties

• Compound Name: N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane
• PubChem CID: 145344062
• Molecular Formula: C25H29F2N7
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.25
• IUPAC Name: N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane
• SMILES: C.Cc1nc2c(CF)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C24H25F2N7.CH4/c1-13(2)33-14(3)29-23-17(10-25)8-16(9-20(23)33)22-18(26)12-28-24(32-22)31-21-5-4-15-11-27-7-6-19(15)30-21;/h4-5,8-9,12-13,27H,6-7,10-11H2,1-3H3,(H,28,30,31,32);1H4
• InChIKey: YRSSKTMNJYEIKR-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane?

The IUPAC name of N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane (CID 145344062) is N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane.

What is the SMILES notation for N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane?

The canonical SMILES for N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane is C.Cc1nc2c(CF)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc2n1C(C)C.

What is the InChIKey of N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane?

The InChIKey is YRSSKTMNJYEIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7.CH4/c1-13(2)33-14(3)29-23-17(10-25)8-16(9-20(23)33)22-18(26)12-28-24(32-22)31-21-5-4-15-11-27-7-6-19(15)30-21;/h4-5,8-9,12-13,27H,6-7,10-11H2,1-3H3,(H,28,30,31,32);1H4.

What are the key properties of N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane?

N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane has a molecular weight of 465.55 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane is sourced from PubChem (CID 145344062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).