1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol

C24H32N6O — CID 175390218

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol
SMILESOC(CNc1n[nH]c2c(NC3CCNCC3)cccc12)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32N6O/c31-20(16-30-13-10-17-4-1-2-5-18(17)15-30)14-26-24-21-6-3-7-22(23(21)28-29-24)27-19-8-11-25-12-9-19/h1-7,19-20,25,27,31H,8-16H2,(H2,26,28,29)
InChIKeyPQHDRFLEVMHDRP-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.56
Rot. Bonds7

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol (PubChem CID 175390218) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol
PubChem CID175390218
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol
SMILESOC(CNc1n[nH]c2c(NC3CCNCC3)cccc12)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32N6O/c31-20(16-30-13-10-17-4-1-2-5-18(17)15-30)14-26-24-21-6-3-7-22(23(21)28-29-24)27-19-8-11-25-12-9-19/h1-7,19-20,25,27,31H,8-16H2,(H2,26,28,29)
InChIKeyPQHDRFLEVMHDRP-UHFFFAOYSA-N
XLogP2.56
TPSA88.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol with MolForge

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Related Compounds

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
3-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-N-[1-[1-(1-methylpyrazol-4-yl)ethenyl]piperidin-4-yl]-1H-indazole-3,7-diamine
CID 166898318
(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-[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
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
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
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylamino)pyrimidine-4-carboxamide
CID 123775073
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-3-(oxan-4-ylamino)benzamide
CID 76901932
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
2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]pyridine-3-carbonitrile
CID 94102559
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-4-ylmethylamino)propan-2-ol
CID 124702475

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol (CID 175390218) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol is OC(CNc1n[nH]c2c(NC3CCNCC3)cccc12)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol?
The InChIKey is PQHDRFLEVMHDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c31-20(16-30-13-10-17-4-1-2-5-18(17)15-30)14-26-24-21-6-3-7-22(23(21)28-29-24)27-19-8-11-25-12-9-19/h1-7,19-20,25,27,31H,8-16H2,(H2,26,28,29).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol has a molecular weight of 420.56 g/mol, XLogP of 2.56, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[7-(piperidin-4-ylamino)-1H-indazol-3-yl]amino]propan-2-ol is sourced from PubChem (CID 175390218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).