(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide

C25H24F2N6O2 — CID 170968190

IUPAC(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3n3nc(C4CC4)nc23)cn1
InChIInChI=1S/C25H24F2N6O2/c1-3-20(34)18-6-12(2)16(11-28-18)15-7-14-10-29-21(30-24(35)17-9-25(17,26)27)8-19(14)33-23(15)31-22(32-33)13-4-5-13/h6-8,10-11,13,17,20,34H,3-5,9H2,1-2H3,(H,29,30,35)/t17-,20?/m1/s1
InChIKeyPHXPQJRVPVNFHL-DIAVIDTQSA-N
MW478.50 g/mol
LogP4.56
Rot. Bonds6

About (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide

(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 170968190) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID170968190
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3n3nc(C4CC4)nc23)cn1
InChIInChI=1S/C25H24F2N6O2/c1-3-20(34)18-6-12(2)16(11-28-18)15-7-14-10-29-21(30-24(35)17-9-25(17,26)27)8-19(14)33-23(15)31-22(32-33)13-4-5-13/h6-8,10-11,13,17,20,34H,3-5,9H2,1-2H3,(H,29,30,35)/t17-,20?/m1/s1
InChIKeyPHXPQJRVPVNFHL-DIAVIDTQSA-N
XLogP4.56
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

(1R)-N-[2-ethyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205511
N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170968332
(1R)-N-[2-cyclopropyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205545
(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171555408
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
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
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
(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-(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-[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

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 170968190) is (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide is CCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3n3nc(C4CC4)nc23)cn1.
What is the InChIKey of (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is PHXPQJRVPVNFHL-DIAVIDTQSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-3-20(34)18-6-12(2)16(11-28-18)15-7-14-10-29-21(30-24(35)17-9-25(17,26)27)8-19(14)33-23(15)31-22(32-33)13-4-5-13/h6-8,10-11,13,17,20,34H,3-5,9H2,1-2H3,(H,29,30,35)/t17-,20?/m1/s1.
What are the key properties of (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?
(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 170968190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).