4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C18H21N5OS — CID 118869614

IUPAC4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Sc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C18H21N5OS/c1-12(2)25-15-11-16(23-7-9-24-10-8-23)21-17-13(15)3-5-19-18(17)14-4-6-20-22-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)
InChIKeyCFSPVEXZHIIQID-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.36
Rot. Bonds4

About 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869614) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869614
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Sc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C18H21N5OS/c1-12(2)25-15-11-16(23-7-9-24-10-8-23)21-17-13(15)3-5-19-18(17)14-4-6-20-22-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)
InChIKeyCFSPVEXZHIIQID-UHFFFAOYSA-N
XLogP3.36
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383
4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130287257
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxamide
CID 118869329
(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
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
4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890777
4-[4-(6-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869521
1-[amino-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]amino]-2-methylpropan-2-amine
CID 134446743
5-methyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
CID 166750413
4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869556

Frequently Asked Questions

What is the IUPAC name of 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869614) is 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)Sc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is CFSPVEXZHIIQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12(2)25-15-11-16(23-7-9-24-10-8-23)21-17-13(15)3-5-19-18(17)14-4-6-20-22-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,22).
What are the key properties of 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 355.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).