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

C25H26FN5O2 — CID 170967751

IUPACcis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCCC[C@H](OC)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ccnc23)cn1
InChIInChI=1S/C25H26FN5O2/c1-4-5-22(33-3)20-8-14(2)18(13-28-20)16-9-15-12-29-23(30-25(32)17-10-19(17)26)11-21(15)31-7-6-27-24(16)31/h6-9,11-13,17,19,22H,4-5,10H2,1-3H3,(H,29,30,32)/t17-,19+,22-/m0/s1
InChIKeyJHOLYSSKOODLOP-KPLVRAHFSA-N
MW447.51 g/mol
LogP5.04
Rot. Bonds7

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

cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (PubChem CID 170967751) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
PubChem CID170967751
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Namecis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESCCC[C@H](OC)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4C[C@H]4F)cc3n3ccnc23)cn1
InChIInChI=1S/C25H26FN5O2/c1-4-5-22(33-3)20-8-14(2)18(13-28-20)16-9-15-12-29-23(30-25(32)17-10-19(17)26)11-21(15)31-7-6-27-24(16)31/h6-9,11-13,17,19,22H,4-5,10H2,1-3H3,(H,29,30,32)/t17-,19+,22-/m0/s1
InChIKeyJHOLYSSKOODLOP-KPLVRAHFSA-N
XLogP5.04
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[3-[6-(Ethoxymethyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380387
US20190276450, Example 16
CID 139464855
US20190276450, Example 2.8
CID 139464925
1-[3-[7-[2-Amino-6-(methoxymethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44546689
2H-Pyran-3-amine, 5-(2-cyclopropyl-6H-pyrrolo[3,4-d]pyrimidin-6-yl)tetrahydro-2-(2,4,5-trifluorophenyl)-, (2R,3S,5R)-
CID 72188906
US20190276450, Example 16a
CID 139464814
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 49870580
4-[(3,5-Difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 58093391
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 66873578
4-[(3,5-Difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 66873755
1-[3-[7-[4-Amino-6-(methoxymethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168864
2-(6-fluoropyridin-3-yl)-7-(methoxymethyl)-9H-
CID 122446307

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-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-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (CID 170967751) is cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-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-[6-[(1S)-1-methoxybutyl]-4-methyl-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-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is CCC[C@H](OC)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-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The InChIKey is JHOLYSSKOODLOP-KPLVRAHFSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-4-5-22(33-3)20-8-14(2)18(13-28-20)16-9-15-12-29-23(30-25(32)17-10-19(17)26)11-21(15)31-7-6-27-24(16)31/h6-9,11-13,17,19,22H,4-5,10H2,1-3H3,(H,29,30,32)/t17-,19+,22-/m0/s1.
What are the key properties of cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 5.04, 7 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-[6-[(1S)-1-methoxybutyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170967751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).