(3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine

C19H20N6O3S — CID 163253678

IUPAC(3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc2c(-c3ccn[nH]3)nccc2c2c1ccn2S(C)(=O)=O
InChIInChI=1S/C19H20N6O3S/c1-12-11-28-10-9-24(12)19-14-5-8-25(29(2,26)27)18(14)13-3-6-20-17(16(13)22-19)15-4-7-21-23-15/h3-8,12H,9-11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyOXWFVOLJDCSTJS-GFCCVEGCSA-N
MW412.48 g/mol
LogP2.01
Rot. Bonds3

About (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine

(3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine (PubChem CID 163253678) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine
PubChem CID163253678
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name(3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc2c(-c3ccn[nH]3)nccc2c2c1ccn2S(C)(=O)=O
InChIInChI=1S/C19H20N6O3S/c1-12-11-28-10-9-24(12)19-14-5-8-25(29(2,26)27)18(14)13-3-6-20-17(16(13)22-19)15-4-7-21-23-15/h3-8,12H,9-11H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyOXWFVOLJDCSTJS-GFCCVEGCSA-N
XLogP2.01
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine (CID 163253678) is (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine is C[C@@H]1COCCN1c1nc2c(-c3ccn[nH]3)nccc2c2c1ccn2S(C)(=O)=O.
What is the InChIKey of (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine?
The InChIKey is OXWFVOLJDCSTJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-12-11-28-10-9-24(12)19-14-5-8-25(29(2,26)27)18(14)13-3-6-20-17(16(13)22-19)15-4-7-21-23-15/h3-8,12H,9-11H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine?
(3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine has a molecular weight of 412.48 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[1-methylsulfonyl-6-(1H-pyrazol-5-yl)pyrrolo[3,2-c][1,7]naphthyridin-4-yl]morpholine is sourced from PubChem (CID 163253678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).