cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C22H23FN4O2 — CID 171555547

IUPACcis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCC[C@@H](O)c1cc(C)c(-c2cnc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c2)cn1
InChIInChI=1S/C22H23FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h5-6,8-11,15,17,20,28H,3-4,7H2,1-2H3,(H,26,27,29)/t15-,17+,20-/m1/s1
InChIKeyAPOPNKQPQOCXHM-OXFYSEKESA-N
MW394.45 g/mol
LogP4.13
Rot. Bonds6

About cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171555547) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID171555547
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Namecis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCC[C@@H](O)c1cc(C)c(-c2cnc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c2)cn1
InChIInChI=1S/C22H23FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h5-6,8-11,15,17,20,28H,3-4,7H2,1-2H3,(H,26,27,29)/t15-,17+,20-/m1/s1
InChIKeyAPOPNKQPQOCXHM-OXFYSEKESA-N
XLogP4.13
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2S)-2-fluoro-N-[3-[6-[(1S)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555797
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
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)-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
(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 71128099
cis-(1R,2R)-N-[4-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997980
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,3]oxazolo[4,5-f]isoquinolin-8-yl]cyclopropane-1-carboxamide
CID 170967764
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
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
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
2-fluoro-N-[7-[4-methyl-6-(3-methyl-3-prop-1-en-2-ylhex-4-en-2-yl)-3-pyridinyl]isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 123415691
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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171555547) is cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is CCC[C@@H](O)c1cc(C)c(-c2cnc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c2)cn1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is APOPNKQPQOCXHM-OXFYSEKESA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h5-6,8-11,15,17,20,28H,3-4,7H2,1-2H3,(H,26,27,29)/t15-,17+,20-/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171555547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).