1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone

C25H32FN7O2 — CID 166898010

IUPAC1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(F)c3c(NCC(O)CN4CCc5ccccc5C4)n[nH]c23)CC1
InChIInChI=1S/C25H32FN7O2/c1-16(34)33-10-7-19(8-11-33)29-25-23-22(21(26)13-28-25)24(31-30-23)27-12-20(35)15-32-9-6-17-4-2-3-5-18(17)14-32/h2-5,13,19-20,35H,6-12,14-15H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyFXHUIOODRFQYIY-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.35
Rot. Bonds7

About 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone

1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone (PubChem CID 166898010) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone
PubChem CID166898010
Molecular FormulaC25H32FN7O2
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC Name1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(F)c3c(NCC(O)CN4CCc5ccccc5C4)n[nH]c23)CC1
InChIInChI=1S/C25H32FN7O2/c1-16(34)33-10-7-19(8-11-33)29-25-23-22(21(26)13-28-25)24(31-30-23)27-12-20(35)15-32-9-6-17-4-2-3-5-18(17)14-32/h2-5,13,19-20,35H,6-12,14-15H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyFXHUIOODRFQYIY-UHFFFAOYSA-N
XLogP2.35
TPSA109.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[3-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone
CID 166898007
1-[4-[[3-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-5-(trifluoromethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 162518328
acetyl 4-[[3-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-1H-indazol-7-yl]amino]piperidine-1-carboxylate
CID 175390203
1-[4-[[4-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]pyrido[3,4-d]pyrimidin-8-yl]amino]piperidin-1-yl]ethanone
CID 162518255
1-[4-[[3-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 166898239
1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 162518320
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(oxetan-3-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]amino]propan-2-ol
CID 162518267
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol
CID 175390218
1-[4-[[3-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 162518256
3-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-5-N-(1-prop-1-en-2-ylpiperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-3,5-diamine
CID 166898022
2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutyl]pyridine-4-carboxamide
CID 118934914
2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(dimethylamino)pyridine-4-carboxamide
CID 118553870

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone (CID 166898010) is 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncc(F)c3c(NCC(O)CN4CCc5ccccc5C4)n[nH]c23)CC1.
What is the InChIKey of 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is FXHUIOODRFQYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O2/c1-16(34)33-10-7-19(8-11-33)29-25-23-22(21(26)13-28-25)24(31-30-23)27-12-20(35)15-32-9-6-17-4-2-3-5-18(17)14-32/h2-5,13,19-20,35H,6-12,14-15H2,1H3,(H,28,29)(H2,27,30,31).
What are the key properties of 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 481.58 g/mol, XLogP of 2.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 166898010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).