2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide

C18H19FN6O — CID 138588734

IUPAC2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
SMILESCn1cc(-c2cc3cc(NC(=O)CN4CCC(F)C4)ncc3cn2)cn1
InChIInChI=1S/C18H19FN6O/c1-24-9-14(8-22-24)16-4-12-5-17(21-7-13(12)6-20-16)23-18(26)11-25-3-2-15(19)10-25/h4-9,15H,2-3,10-11H2,1H3,(H,21,23,26)
InChIKeyLJZBAGAKUCGWCN-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide

2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide (PubChem CID 138588734) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
PubChem CID138588734
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
SMILESCn1cc(-c2cc3cc(NC(=O)CN4CCC(F)C4)ncc3cn2)cn1
InChIInChI=1S/C18H19FN6O/c1-24-9-14(8-22-24)16-4-12-5-17(21-7-13(12)6-20-16)23-18(26)11-25-3-2-15(19)10-25/h4-9,15H,2-3,10-11H2,1H3,(H,21,23,26)
InChIKeyLJZBAGAKUCGWCN-UHFFFAOYSA-N
XLogP2.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138587782
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138588253
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 138587844
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 138588848
N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138590190
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide (CID 138588734) is 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide is Cn1cc(-c2cc3cc(NC(=O)CN4CCC(F)C4)ncc3cn2)cn1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The InChIKey is LJZBAGAKUCGWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-24-9-14(8-22-24)16-4-12-5-17(21-7-13(12)6-20-16)23-18(26)11-25-3-2-15(19)10-25/h4-9,15H,2-3,10-11H2,1H3,(H,21,23,26).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 138588734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).