N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide

C28H26F2N6O3S — CID 170544772

IUPACN-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(C(=O)NCc2cc3nc(N4CCCc5ccc(C6CC6)nc54)ccc3cn2)cnc1C(F)F
InChIInChI=1S/C28H26F2N6O3S/c1-40(38,39)23-11-19(14-32-25(23)26(29)30)28(37)33-15-20-12-22-18(13-31-20)7-9-24(34-22)36-10-2-3-17-6-8-21(16-4-5-16)35-27(17)36/h6-9,11-14,16,26H,2-5,10,15H2,1H3,(H,33,37)
InChIKeyYINMGZBUQVGBER-UHFFFAOYSA-N
MW564.62 g/mol
LogP4.65
Rot. Bonds7

About N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide

N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide (PubChem CID 170544772) has the molecular formula C28H26F2N6O3S and a molecular weight of 564.62 g/mol. Its IUPAC name is N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide
PubChem CID170544772
Molecular FormulaC28H26F2N6O3S
Molecular Weight564.62 g/mol
Exact Mass564.18
IUPAC NameN-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(C(=O)NCc2cc3nc(N4CCCc5ccc(C6CC6)nc54)ccc3cn2)cnc1C(F)F
InChIInChI=1S/C28H26F2N6O3S/c1-40(38,39)23-11-19(14-32-25(23)26(29)30)28(37)33-15-20-12-22-18(13-31-20)7-9-24(34-22)36-10-2-3-17-6-8-21(16-4-5-16)35-27(17)36/h6-9,11-14,16,26H,2-5,10,15H2,1H3,(H,33,37)
InChIKeyYINMGZBUQVGBER-UHFFFAOYSA-N
XLogP4.65
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide with MolForge

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Related Compounds

US10030016, Example 8.6.10
CID 68160978
(3-Methylsulfonylphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098971
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-quinolin-3-ylmethanone
CID 119099017
(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 146644548
(S)-N-(4-(ethylsulfonyl)benzyl)-7-isopropyl-6-(4-(trifluoromethyl)pyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 146681918
6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 150333961
US20160046618, Example 656
CID 118866299
US20250115578, Example 26
CID 169264327
9-(6-Methylsulfonylpyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438007
9-(6-Methylsulfonylpyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438211
9-[6-(4-Methylpiperazin-1-yl)pyridin-3-yl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438267
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(3,3-difluoropyrrolidin-1-yl)-2H-2,7-naphthyridin-1-one;N,2-dimethyl-2-[4-[[3-(5-methylsulfonyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]propanamide
CID 87191497

Frequently Asked Questions

What is the IUPAC name of N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide (CID 170544772) is N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide is CS(=O)(=O)c1cc(C(=O)NCc2cc3nc(N4CCCc5ccc(C6CC6)nc54)ccc3cn2)cnc1C(F)F.
What is the InChIKey of N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide?
The InChIKey is YINMGZBUQVGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O3S/c1-40(38,39)23-11-19(14-32-25(23)26(29)30)28(37)33-15-20-12-22-18(13-31-20)7-9-24(34-22)36-10-2-3-17-6-8-21(16-4-5-16)35-27(17)36/h6-9,11-14,16,26H,2-5,10,15H2,1H3,(H,33,37).
What are the key properties of N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide?
N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide has a molecular weight of 564.62 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 170544772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).