cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

C23H20FN5O2 — CID 170967989

IUPACcis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ccnc23)cn1
InChIInChI=1S/C23H20FN5O2/c1-3-20(30)18-6-12(2)16(11-26-18)14-7-13-10-27-21(28-23(31)15-8-17(15)24)9-19(13)29-5-4-25-22(14)29/h4-7,9-11,15,17H,3,8H2,1-2H3,(H,27,28,31)/t15-,17+/m0/s1
InChIKeyKOMIAIQVZWKHDT-DOTOQJQBSA-N
MW417.44 g/mol
LogP4.14
Rot. Bonds5

About cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (PubChem CID 170967989) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
PubChem CID170967989
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Namecis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ccnc23)cn1
InChIInChI=1S/C23H20FN5O2/c1-3-20(30)18-6-12(2)16(11-26-18)14-7-13-10-27-21(28-23(31)15-8-17(15)24)9-19(13)29-5-4-25-22(14)29/h4-7,9-11,15,17H,3,8H2,1-2H3,(H,27,28,31)/t15-,17+/m0/s1
InChIKeyKOMIAIQVZWKHDT-DOTOQJQBSA-N
XLogP4.14
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967810
(1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 170968219
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1R)-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967865
N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide
CID 170967948
cis-(1R,2R)-N-[4-(6-butanoyl-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997937
cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171556510
(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123829
cis-(1S,2S)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967871
N-[1-ethyl-3-(4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 166123847
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
cis-(1R,2R)-2-fluoro-N-[3-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123775
cis-(1S,2S)-2-fluoro-N-[4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170968422

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (CID 170967989) is cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is CCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ccnc23)cn1.
What is the InChIKey of cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The InChIKey is KOMIAIQVZWKHDT-DOTOQJQBSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-3-20(30)18-6-12(2)16(11-26-18)14-7-13-10-27-21(28-23(31)15-8-17(15)24)9-19(13)29-5-4-25-22(14)29/h4-7,9-11,15,17H,3,8H2,1-2H3,(H,27,28,31)/t15-,17+/m0/s1.
What are the key properties of cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170967989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).