N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C33H39FN8 — CID 145195942

About N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 145195942) has the molecular formula C33H39FN8 and a molecular weight of 566.73 g/mol. Its IUPAC name is N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine
• PubChem CID: 145195942
• Molecular Formula: C33H39FN8
• Molecular Weight: 566.73 g/mol
• Exact Mass: 566.33
• IUPAC Name: N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine
• SMILES: C=C(C)c1cc(-c2nc(Nc3ccc4c(n3)CCN(C3CCNCC3)C4)ncc2F)cc2c1nc(C)n2C1CCCC1
• InChI: InChI=1S/C33H39FN8/c1-20(2)26-16-23(17-29-32(26)37-21(3)42(29)25-6-4-5-7-25)31-27(34)18-36-33(40-31)39-30-9-8-22-19-41(15-12-28(22)38-30)24-10-13-35-14-11-24/h8-9,16-18,24-25,35H,1,4-7,10-15,19H2,2-3H3,(H,36,38,39,40)
• InChIKey: MSGZTOSYWCEZHM-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.73
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The IUPAC name of N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 145195942) is N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

What is the SMILES notation for N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The canonical SMILES for N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine is C=C(C)c1cc(-c2nc(Nc3ccc4c(n3)CCN(C3CCNCC3)C4)ncc2F)cc2c1nc(C)n2C1CCCC1.

What is the InChIKey of N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The InChIKey is MSGZTOSYWCEZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN8/c1-20(2)26-16-23(17-29-32(26)37-21(3)42(29)25-6-4-5-7-25)31-27(34)18-36-33(40-31)39-30-9-8-22-19-41(15-12-28(22)38-30)24-10-13-35-14-11-24/h8-9,16-18,24-25,35H,1,4-7,10-15,19H2,2-3H3,(H,36,38,39,40).

What are the key properties of N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 566.73 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyclopentyl-2-methyl-7-prop-1-en-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-piperidin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 145195942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).