1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol

C25H26N4O2 — CID 86729294

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCn1ncc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21
InChIInChI=1S/C25H26N4O2/c1-28-25-12-24(26-13-21(25)14-27-28)19-7-4-8-23(11-19)31-17-22(30)16-29-10-9-18-5-2-3-6-20(18)15-29/h2-8,11-14,22,30H,9-10,15-17H2,1H3
InChIKeyYVSLHTOCFAZCFW-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.43
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol (PubChem CID 86729294) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol
PubChem CID86729294
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCn1ncc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21
InChIInChI=1S/C25H26N4O2/c1-28-25-12-24(26-13-21(25)14-27-28)19-7-4-8-23(11-19)31-17-22(30)16-29-10-9-18-5-2-3-6-20(18)15-29/h2-8,11-14,22,30H,9-10,15-17H2,1H3
InChIKeyYVSLHTOCFAZCFW-UHFFFAOYSA-N
XLogP3.43
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
Mardepodect hydrochloride
CID 122412737
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
4-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11604203
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 57400861
3-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)isoquinoline
CID 53322495
3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 90665374

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol (CID 86729294) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol is Cn1ncc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol?
The InChIKey is YVSLHTOCFAZCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-28-25-12-24(26-13-21(25)14-27-28)19-7-4-8-23(11-19)31-17-22(30)16-29-10-9-18-5-2-3-6-20(18)15-29/h2-8,11-14,22,30H,9-10,15-17H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol has a molecular weight of 414.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 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-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 86729294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).