(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine

C21H25N5OS — CID 118869593

IUPAC(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N5OS/c1-14-13-27-9-8-26(14)19-12-17(15-4-10-28-11-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyRLJWVWNWUMCCKR-CQSZACIVSA-N
MW395.53 g/mol
LogP3.86
Rot. Bonds3

About (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869593) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869593
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N5OS/c1-14-13-27-9-8-26(14)19-12-17(15-4-10-28-11-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyRLJWVWNWUMCCKR-CQSZACIVSA-N
XLogP3.86
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869593) is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is RLJWVWNWUMCCKR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-14-13-27-9-8-26(14)19-12-17(15-4-10-28-11-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 395.53 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).