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

C17H19N5O3S — CID 118869566

IUPAC4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1c(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc2c1S(C)(=O)=O
InChIInChI=1S/C17H19N5O3S/c1-11-16(26(2,23)24)12-3-5-18-15(13-4-6-19-21-13)14(12)20-17(11)22-7-9-25-10-8-22/h3-6H,7-10H2,1-2H3,(H,19,21)
InChIKeyHZUNWERAMSOESD-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.57
Rot. Bonds3

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

4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869566) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869566
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1c(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc2c1S(C)(=O)=O
InChIInChI=1S/C17H19N5O3S/c1-11-16(26(2,23)24)12-3-5-18-15(13-4-6-19-21-13)14(12)20-17(11)22-7-9-25-10-8-22/h3-6H,7-10H2,1-2H3,(H,19,21)
InChIKeyHZUNWERAMSOESD-UHFFFAOYSA-N
XLogP1.57
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130287257
imino-methyl-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfane
CID 118890824
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxamide
CID 118869329
4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869614
4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383
5-methyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
CID 166750413
(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine
CID 118869266
5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 134446608
3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446335
4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869646
1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1-propylhydrazine
CID 134446629
4-[4-(3-methylpiperidin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869455

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869566) is 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1c(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc2c1S(C)(=O)=O.
What is the InChIKey of 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is HZUNWERAMSOESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-16(26(2,23)24)12-3-5-18-15(13-4-6-19-21-13)14(12)20-17(11)22-7-9-25-10-8-22/h3-6H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 373.44 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).