1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol

C19H23N5O — CID 133489496

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
SMILESCc1cc2c(NCC(O)CN3CCc4ccccc4C3)nccn2n1
InChIInChI=1S/C19H23N5O/c1-14-10-18-19(20-7-9-24(18)22-14)21-11-17(25)13-23-8-6-15-4-2-3-5-16(15)12-23/h2-5,7,9-10,17,25H,6,8,11-13H2,1H3,(H,20,21)
InChIKeyBRWHGBDEOAKSST-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.87
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol (PubChem CID 133489496) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
PubChem CID133489496
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
SMILESCc1cc2c(NCC(O)CN3CCc4ccccc4C3)nccn2n1
InChIInChI=1S/C19H23N5O/c1-14-10-18-19(20-7-9-24(18)22-14)21-11-17(25)13-23-8-6-15-4-2-3-5-16(15)12-23/h2-5,7,9-10,17,25H,6,8,11-13H2,1H3,(H,20,21)
InChIKeyBRWHGBDEOAKSST-UHFFFAOYSA-N
XLogP1.87
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133488582
2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]pyridine-3-carbonitrile
CID 94102559
1-(2-fluorophenyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 133489553
(2S)-1-[(8-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 162518223
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(6,7-dimethoxy-3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 99788403
3-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94102555
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 133489329
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-methoxypyrimidin-2-yl)amino]propan-2-ol
CID 32806067
1-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methyl-4-pyridinyl)urea
CID 125136133
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methyl-4-pyridinyl)urea
CID 125136132
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731297
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol
CID 90241740

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol (CID 133489496) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol is Cc1cc2c(NCC(O)CN3CCc4ccccc4C3)nccn2n1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
The InChIKey is BRWHGBDEOAKSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-10-18-19(20-7-9-24(18)22-14)21-11-17(25)13-23-8-6-15-4-2-3-5-16(15)12-23/h2-5,7,9-10,17,25H,6,8,11-13H2,1H3,(H,20,21).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol has a molecular weight of 337.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 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-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 133489496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).