N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

C19H23F2N6O5S- — CID 139267876

IUPACN-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CN2CC[C@@H](O)C2)Cc2ncc(NC(=O)[O-])cc21
InChIInChI=1S/C19H24F2N6O5S/c1-11-17(10-26(24-11)18(20)21)33(31,32)27-8-12(7-25-3-2-14(28)9-25)4-15-16(27)5-13(6-22-15)23-19(29)30/h5-6,10,12,14,18,23,28H,2-4,7-9H2,1H3,(H,29,30)/p-1/t12-,14+/m0/s1
InChIKeyABDIUTMOYKUVRI-GXTWGEPZSA-M
MW485.49 g/mol
LogP0.17
Rot. Bonds6

About N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (PubChem CID 139267876) has the molecular formula C19H23F2N6O5S- and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound NameN-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
PubChem CID139267876
Molecular FormulaC19H23F2N6O5S-
Molecular Weight485.49 g/mol
Exact Mass485.14
IUPAC NameN-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CN2CC[C@@H](O)C2)Cc2ncc(NC(=O)[O-])cc21
InChIInChI=1S/C19H24F2N6O5S/c1-11-17(10-26(24-11)18(20)21)33(31,32)27-8-12(7-25-3-2-14(28)9-25)4-15-16(27)5-13(6-22-15)23-19(29)30/h5-6,10,12,14,18,23,28H,2-4,7-9H2,1H3,(H,29,30)/p-1/t12-,14+/m0/s1
InChIKeyABDIUTMOYKUVRI-GXTWGEPZSA-M
XLogP0.17
TPSA143.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The IUPAC name of N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (CID 139267876) is N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.
What is the SMILES notation for N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The canonical SMILES for N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CN2CC[C@@H](O)C2)Cc2ncc(NC(=O)[O-])cc21.
What is the InChIKey of N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The InChIKey is ABDIUTMOYKUVRI-GXTWGEPZSA-M. The full InChI is InChI=1S/C19H24F2N6O5S/c1-11-17(10-26(24-11)18(20)21)33(31,32)27-8-12(7-25-3-2-14(28)9-25)4-15-16(27)5-13(6-22-15)23-19(29)30/h5-6,10,12,14,18,23,28H,2-4,7-9H2,1H3,(H,29,30)/p-1/t12-,14+/m0/s1.
What are the key properties of N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate has a molecular weight of 485.49 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 139267876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).