benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

C26H30F2N6O6S — CID 118186256

IUPACbenzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)Cc2ncc(NC(=O)OCc3ccccc3)cc21
InChIInChI=1S/C26H30F2N6O6S/c1-16-22(14-33(32-16)23(27)28)41(37,38)34-13-19(31-25(36)40-26(2,3)4)10-20-21(34)11-18(12-29-20)30-24(35)39-15-17-8-6-5-7-9-17/h5-9,11-12,14,19,23H,10,13,15H2,1-4H3,(H,30,35)(H,31,36)
InChIKeyDGCOFHBXVLZHIU-UHFFFAOYSA-N
MW592.63 g/mol
LogP4.38
Rot. Bonds7

About benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (PubChem CID 118186256) has the molecular formula C26H30F2N6O6S and a molecular weight of 592.63 g/mol. Its IUPAC name is benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
PubChem CID118186256
Molecular FormulaC26H30F2N6O6S
Molecular Weight592.63 g/mol
Exact Mass592.19
IUPAC Namebenzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)Cc2ncc(NC(=O)OCc3ccccc3)cc21
InChIInChI=1S/C26H30F2N6O6S/c1-16-22(14-33(32-16)23(27)28)41(37,38)34-13-19(31-25(36)40-26(2,3)4)10-20-21(34)11-18(12-29-20)30-24(35)39-15-17-8-6-5-7-9-17/h5-9,11-12,14,19,23H,10,13,15H2,1-4H3,(H,30,35)(H,31,36)
InChIKeyDGCOFHBXVLZHIU-UHFFFAOYSA-N
XLogP4.38
TPSA144.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.63
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate with MolForge

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Related Compounds

benzyl N-[5-(4-fluorophenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
CID 118185251
benzyl N-[(3R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]carbamate
CID 131742397
tert-butyl N-[(2S)-4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-2-(1,2-dihydrotriazol-3-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;molecular hydrogen
CID 144873458
(2R)-3-[(2S)-4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-6-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]-2-methylpropanoic acid
CID 118192080
benzyl N-[3,5-difluoro-4-[(1S,5R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]carbamate
CID 11340122
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
CID 166524697
tert-butyl 2-[(2S)-4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetate
CID 158980565
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-[3-(2-ethoxyethoxy)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]pyrazol-4-yl]carbamate
CID 146445866
benzyl N-[5-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-1H-pyrazol-3-yl]carbamate
CID 176998560
CID 90012286
CID 90012286
tert-butyl 5-(phenylmethoxycarbonylamino)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 154465946

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The IUPAC name of benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (CID 118186256) is benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The canonical SMILES for benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is Cc1nn(C(F)F)cc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)Cc2ncc(NC(=O)OCc3ccccc3)cc21.
What is the InChIKey of benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The InChIKey is DGCOFHBXVLZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O6S/c1-16-22(14-33(32-16)23(27)28)41(37,38)34-13-19(31-25(36)40-26(2,3)4)10-20-21(34)11-18(12-29-20)30-24(35)39-15-17-8-6-5-7-9-17/h5-9,11-12,14,19,23H,10,13,15H2,1-4H3,(H,30,35)(H,31,36).
What are the key properties of benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate has a molecular weight of 592.63 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 118186256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).