2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone

C28H31FN8O — CID 152786566

IUPAC2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
SMILESCN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn6c5CN(CCF)CC6)cnc4cn3)cn2)CC1
InChIInChI=1S/C28H31FN8O/c1-34-6-9-36(10-7-34)28-3-2-20(15-32-28)27(38)14-23-13-21-12-22(16-31-25(21)18-30-23)24-17-33-37-11-8-35(5-4-29)19-26(24)37/h2-3,12-13,15-18H,4-11,14,19H2,1H3
InChIKeyRYQVDPXABHANDJ-UHFFFAOYSA-N
MW514.61 g/mol
LogP2.85
Rot. Bonds7

About 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone

2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone (PubChem CID 152786566) has the molecular formula C28H31FN8O and a molecular weight of 514.61 g/mol. Its IUPAC name is 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
PubChem CID152786566
Molecular FormulaC28H31FN8O
Molecular Weight514.61 g/mol
Exact Mass514.26
IUPAC Name2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
SMILESCN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn6c5CN(CCF)CC6)cnc4cn3)cn2)CC1
InChIInChI=1S/C28H31FN8O/c1-34-6-9-36(10-7-34)28-3-2-20(15-32-28)27(38)14-23-13-21-12-22(16-31-25(21)18-30-23)24-17-33-37-11-8-35(5-4-29)19-26(24)37/h2-3,12-13,15-18H,4-11,14,19H2,1H3
InChIKeyRYQVDPXABHANDJ-UHFFFAOYSA-N
XLogP2.85
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

[7-(2-Fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)methanone
CID 156212798
N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]isoquinolin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 132056600
(R)-4-((1,6-naphthyridin-2-yl)amino)-6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138703829
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((6-(piperazin-1-yl)pyridin-3-yl)amino) nicotinamide
CID 138704178
2-(4-Fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 11627271
N-benzoyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide
CID 44427598
N-benzoyl-N-[2-(3-methylphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide
CID 44427599
N-benzoyl-N-(2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-benzamide
CID 44427600
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)nicotinamide
CID 44570110
2-[4-(5-Fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 71601990
2-[(4-Amino-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-fluoro-3-(2-methylphenyl)quinazolin-4-one
CID 145983578
1-[6-[4-[4-(Azetidin-1-yl)-7-methylimidazo[5,1-f][1,2,4]triazin-5-yl]-1-methylpyrazol-5-yl]-3-pyridinyl]ethanone
CID 68182259

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone (CID 152786566) is 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone is CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn6c5CN(CCF)CC6)cnc4cn3)cn2)CC1.
What is the InChIKey of 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is RYQVDPXABHANDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O/c1-34-6-9-36(10-7-34)28-3-2-20(15-32-28)27(38)14-23-13-21-12-22(16-31-25(21)18-30-23)24-17-33-37-11-8-35(5-4-29)19-26(24)37/h2-3,12-13,15-18H,4-11,14,19H2,1H3.
What are the key properties of 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 514.61 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 152786566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).