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

C23H29FN8O — CID 138589109

IUPACN-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc3cc(-c4cnn5c4CN(CCF)CC5)ncc3cn2)CC1
InChIInChI=1S/C23H29FN8O/c1-29-4-6-31(7-5-29)16-23(33)28-22-11-17-10-20(25-12-18(17)13-26-22)19-14-27-32-9-8-30(3-2-24)15-21(19)32/h10-14H,2-9,15-16H2,1H3,(H,26,28,33)
InChIKeyAYXYYYLIPYRUDM-UHFFFAOYSA-N
MW452.54 g/mol
LogP1.46
Rot. Bonds6

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

N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 138589109) has the molecular formula C23H29FN8O and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID138589109
Molecular FormulaC23H29FN8O
Molecular Weight452.54 g/mol
Exact Mass452.24
IUPAC NameN-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc3cc(-c4cnn5c4CN(CCF)CC5)ncc3cn2)CC1
InChIInChI=1S/C23H29FN8O/c1-29-4-6-31(7-5-29)16-23(33)28-22-11-17-10-20(25-12-18(17)13-26-22)19-14-27-32-9-8-30(3-2-24)15-21(19)32/h10-14H,2-9,15-16H2,1H3,(H,26,28,33)
InChIKeyAYXYYYLIPYRUDM-UHFFFAOYSA-N
XLogP1.46
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide
CID 138604994
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
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-2-piperidin-1-ylacetamide
CID 138590602
6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166955083
2-[2-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,6-naphthyridin-7-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 159920114
N-[1-[2-(azetidin-3-ylsulfanyl)-4-pyridinyl]ethenyl]-6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]isoquinolin-3-amine
CID 166787298
2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138588734
N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138590190
4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide
CID 138590649
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
4-fluoro-N-[6-[1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138588716

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 138589109) is N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cc3cc(-c4cnn5c4CN(CCF)CC5)ncc3cn2)CC1.
What is the InChIKey of N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is AYXYYYLIPYRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8O/c1-29-4-6-31(7-5-29)16-23(33)28-22-11-17-10-20(25-12-18(17)13-26-22)19-14-27-32-9-8-30(3-2-24)15-21(19)32/h10-14H,2-9,15-16H2,1H3,(H,26,28,33).
What are the key properties of N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 452.54 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 138589109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).