1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one

C19H21N5O2 — CID 158867553

IUPAC1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
SMILESCn1cc(-c2cnc3cnc(CC(=O)CN4CCOCC4)cc3c2)cn1
InChIInChI=1S/C19H21N5O2/c1-23-12-16(10-22-23)15-6-14-7-17(20-11-19(14)21-9-15)8-18(25)13-24-2-4-26-5-3-24/h6-7,9-12H,2-5,8,13H2,1H3
InChIKeyJBKXANRKXBDWOA-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.47
Rot. Bonds5

About 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one

1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one (PubChem CID 158867553) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
PubChem CID158867553
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
SMILESCn1cc(-c2cnc3cnc(CC(=O)CN4CCOCC4)cc3c2)cn1
InChIInChI=1S/C19H21N5O2/c1-23-12-16(10-22-23)15-6-14-7-17(20-11-19(14)21-9-15)8-18(25)13-24-2-4-26-5-3-24/h6-7,9-12H,2-5,8,13H2,1H3
InChIKeyJBKXANRKXBDWOA-UHFFFAOYSA-N
XLogP1.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137
1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 160614109
1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one
CID 160947162
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-morpholin-4-ylpropan-2-one
CID 148508594
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropanamide
CID 138591277
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-pyrrolidin-1-ylpropan-2-one
CID 147925750
1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
CID 149083889
1-[(3R)-3-methylmorpholin-4-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 147321266
1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153187206
1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 148782259
(2S)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-morpholin-4-ylpropanamide
CID 138589378
1-(4-methyl-1,4-diazepan-1-yl)-3-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]propan-2-one
CID 158767293

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one?
The IUPAC name of 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one (CID 158867553) is 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one?
The canonical SMILES for 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one is Cn1cc(-c2cnc3cnc(CC(=O)CN4CCOCC4)cc3c2)cn1.
What is the InChIKey of 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one?
The InChIKey is JBKXANRKXBDWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-12-16(10-22-23)15-6-14-7-17(20-11-19(14)21-9-15)8-18(25)13-24-2-4-26-5-3-24/h6-7,9-12H,2-5,8,13H2,1H3.
What are the key properties of 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one?
1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 158867553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).