(4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane

C23H27FN6O2S — CID 155903538

IUPAC(4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(=O)c2ccc(F)cc2)c2ccnc(C3CCNN3)c2n1
InChIInChI=1S/C23H27FN6O2S/c1-15-14-32-12-11-30(15)21-13-20(29-33(2,31)17-5-3-16(24)4-6-17)18-7-9-25-23(22(18)27-21)19-8-10-26-28-19/h3-7,9,13,15,19,26,28H,8,10-12,14H2,1-2H3/t15-,19?,33?/m1/s1
InChIKeyIBXZAKHCEZZXCC-GCEWJAKYSA-N
MW470.57 g/mol
LogP3.32
Rot. Bonds4

About (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane

(4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane (PubChem CID 155903538) has the molecular formula C23H27FN6O2S and a molecular weight of 470.57 g/mol. Its IUPAC name is (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
PubChem CID155903538
Molecular FormulaC23H27FN6O2S
Molecular Weight470.57 g/mol
Exact Mass470.19
IUPAC Name(4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(=O)c2ccc(F)cc2)c2ccnc(C3CCNN3)c2n1
InChIInChI=1S/C23H27FN6O2S/c1-15-14-32-12-11-30(15)21-13-20(29-33(2,31)17-5-3-16(24)4-6-17)18-7-9-25-23(22(18)27-21)19-8-10-26-28-19/h3-7,9,13,15,19,26,28H,8,10-12,14H2,1-2H3/t15-,19?,33?/m1/s1
InChIKeyIBXZAKHCEZZXCC-GCEWJAKYSA-N
XLogP3.32
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane?
The IUPAC name of (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane (CID 155903538) is (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane.
What is the SMILES notation for (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane?
The canonical SMILES for (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane is C[C@@H]1COCCN1c1cc(N=S(C)(=O)c2ccc(F)cc2)c2ccnc(C3CCNN3)c2n1.
What is the InChIKey of (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane?
The InChIKey is IBXZAKHCEZZXCC-GCEWJAKYSA-N. The full InChI is InChI=1S/C23H27FN6O2S/c1-15-14-32-12-11-30(15)21-13-20(29-33(2,31)17-5-3-16(24)4-6-17)18-7-9-25-23(22(18)27-21)19-8-10-26-28-19/h3-7,9,13,15,19,26,28H,8,10-12,14H2,1-2H3/t15-,19?,33?/m1/s1.
What are the key properties of (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane?
(4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane has a molecular weight of 470.57 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane is sourced from PubChem (CID 155903538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).