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

C21H22N6OS — CID 130245734

IUPAC3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ncc(-c2cc(N3CCOCC3C)nc3c(-c4ccn[nH]4)ncc(C)c23)s1
InChIInChI=1S/C21H22N6OS/c1-12-9-23-20(16-4-5-24-26-16)21-19(12)15(17-10-22-14(3)29-17)8-18(25-21)27-6-7-28-11-13(27)2/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,24,26)
InChIKeyTXLSLFAMHPYNKD-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.99
Rot. Bonds3

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

3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 130245734) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID130245734
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC Name3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ncc(-c2cc(N3CCOCC3C)nc3c(-c4ccn[nH]4)ncc(C)c23)s1
InChIInChI=1S/C21H22N6OS/c1-12-9-23-20(16-4-5-24-26-16)21-19(12)15(17-10-22-14(3)29-17)8-18(25-21)27-6-7-28-11-13(27)2/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,24,26)
InChIKeyTXLSLFAMHPYNKD-UHFFFAOYSA-N
XLogP3.99
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357
(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130229064
4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230353
(3R)-4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 130228884
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230316
(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 138610653
diethyl-[[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
CID 130245982
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 130245734) is 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1ncc(-c2cc(N3CCOCC3C)nc3c(-c4ccn[nH]4)ncc(C)c23)s1.
What is the InChIKey of 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is TXLSLFAMHPYNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-12-9-23-20(16-4-5-24-26-16)21-19(12)15(17-10-22-14(3)29-17)8-18(25-21)27-6-7-28-11-13(27)2/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,24,26).
What are the key properties of 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 406.52 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 130245734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).