cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide

C25H23FN6O2 — CID 174205794

About cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 174205794) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 174205794
• Molecular Formula: C25H23FN6O2
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.19
• IUPAC Name: cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3c(C#N)cnc23)cn1
• InChI: InChI=1S/C25H23FN6O2/c1-3-4-22(33)20-5-13(2)18(12-28-20)16-6-14-10-29-23(31-25(34)17-7-19(17)26)8-21(14)32-15(9-27)11-30-24(16)32/h5-6,8,10-12,17,19,22,33H,3-4,7H2,1-2H3,(H,29,31,34)/t17-,19+,22?/m0/s1
• InChIKey: ISCODYSJNFJQMD-IQOYXIRXSA-N
• XLogP: 4.25
• TPSA: 116.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.50
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide (CID 174205794) is cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide is CCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3c(C#N)cnc23)cn1.

What is the InChIKey of cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is ISCODYSJNFJQMD-IQOYXIRXSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-3-4-22(33)20-5-13(2)18(12-28-20)16-6-14-10-29-23(31-25(34)17-7-19(17)26)8-21(14)32-15(9-27)11-30-24(16)32/h5-6,8,10-12,17,19,22,33H,3-4,7H2,1-2H3,(H,29,31,34)/t17-,19+,22?/m0/s1.

What are the key properties of cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 174205794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).