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

C24H23BrFN5O2 — CID 175997951

IUPACcis-(1R,2R)-N-[1-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3c(Br)cnc23)cn1
InChIInChI=1S/C24H23BrFN5O2/c1-3-4-20(32)18-5-12(2)16(10-27-18)14-6-13-9-28-22(30-24(33)15-7-17(15)26)8-19(13)31-21(25)11-29-23(14)31/h5-6,8-11,15,17,20,32H,3-4,7H2,1-2H3,(H,28,30,33)/t15-,17+,20?/m0/s1
InChIKeyDXOJKVDVVUNABB-DAPIJDQBSA-N
MW512.38 g/mol
LogP5.15
Rot. Bonds6

About cis-(1R,2R)-N-[1-bromo-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-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 175997951) has the molecular formula C24H23BrFN5O2 and a molecular weight of 512.38 g/mol. Its IUPAC name is cis-(1R,2R)-N-[1-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[1-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID175997951
Molecular FormulaC24H23BrFN5O2
Molecular Weight512.38 g/mol
Exact Mass511.10
IUPAC Namecis-(1R,2R)-N-[1-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3c(Br)cnc23)cn1
InChIInChI=1S/C24H23BrFN5O2/c1-3-4-20(32)18-5-12(2)16(10-27-18)14-6-13-9-28-22(30-24(33)15-7-17(15)26)8-19(13)31-21(25)11-29-23(14)31/h5-6,8-11,15,17,20,32H,3-4,7H2,1-2H3,(H,28,30,33)/t15-,17+,20?/m0/s1
InChIKeyDXOJKVDVVUNABB-DAPIJDQBSA-N
XLogP5.15
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.38
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[1-bromo-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-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide (CID 175997951) is cis-(1R,2R)-N-[1-bromo-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-bromo-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-bromo-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(Br)cnc23)cn1.
What is the InChIKey of cis-(1R,2R)-N-[1-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is DXOJKVDVVUNABB-DAPIJDQBSA-N. The full InChI is InChI=1S/C24H23BrFN5O2/c1-3-4-20(32)18-5-12(2)16(10-27-18)14-6-13-9-28-22(30-24(33)15-7-17(15)26)8-19(13)31-21(25)11-29-23(14)31/h5-6,8-11,15,17,20,32H,3-4,7H2,1-2H3,(H,28,30,33)/t15-,17+,20?/m0/s1.
What are the key properties of cis-(1R,2R)-N-[1-bromo-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-bromo-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 512.38 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[1-bromo-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 175997951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).