(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine

C18H19N7O3S — CID 174179967

IUPAC(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc2c(cnn2-c2ccn[nH]2)c2c(S(C)(=O)=O)nccc12
InChIInChI=1S/C18H19N7O3S/c1-11-10-28-8-7-24(11)16-12-3-5-19-18(29(2,26)27)15(12)13-9-21-25(17(13)22-16)14-4-6-20-23-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyFYRFYGQUCZBWEC-LLVKDONJSA-N
MW413.46 g/mol
LogP1.32
Rot. Bonds3

About (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine

(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine (PubChem CID 174179967) has the molecular formula C18H19N7O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
PubChem CID174179967
Molecular FormulaC18H19N7O3S
Molecular Weight413.46 g/mol
Exact Mass413.13
IUPAC Name(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc2c(cnn2-c2ccn[nH]2)c2c(S(C)(=O)=O)nccc12
InChIInChI=1S/C18H19N7O3S/c1-11-10-28-8-7-24(11)16-12-3-5-19-18(29(2,26)27)15(12)13-9-21-25(17(13)22-16)14-4-6-20-23-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyFYRFYGQUCZBWEC-LLVKDONJSA-N
XLogP1.32
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine (CID 174179967) is (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine is C[C@@H]1COCCN1c1nc2c(cnn2-c2ccn[nH]2)c2c(S(C)(=O)=O)nccc12.
What is the InChIKey of (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine?
The InChIKey is FYRFYGQUCZBWEC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N7O3S/c1-11-10-28-8-7-24(11)16-12-3-5-19-18(29(2,26)27)15(12)13-9-21-25(17(13)22-16)14-4-6-20-23-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine?
(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine has a molecular weight of 413.46 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine is sourced from PubChem (CID 174179967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).