1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol

C21H26N4O — CID 56752167

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
SMILESCc1ccc2cc(C3(O)CCN(Cc4c(C)n[nH]c4C)CC3)ccc2n1
InChIInChI=1S/C21H26N4O/c1-14-4-5-17-12-18(6-7-20(17)22-14)21(26)8-10-25(11-9-21)13-19-15(2)23-24-16(19)3/h4-7,12,26H,8-11,13H2,1-3H3,(H,23,24)
InChIKeyKSEJVDAULLDTKF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.37
Rot. Bonds3

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol (PubChem CID 56752167) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
PubChem CID56752167
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
SMILESCc1ccc2cc(C3(O)CCN(Cc4c(C)n[nH]c4C)CC3)ccc2n1
InChIInChI=1S/C21H26N4O/c1-14-4-5-17-12-18(6-7-20(17)22-14)21(26)8-10-25(11-9-21)13-19-15(2)23-24-16(19)3/h4-7,12,26H,8-11,13H2,1-3H3,(H,23,24)
InChIKeyKSEJVDAULLDTKF-UHFFFAOYSA-N
XLogP3.37
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-pyridin-2-ylbut-3-yn-2-ol
CID 162651748
1-Methyl-4-(2-methylquinolin-6-yl)piperidin-4-ol
CID 56750238
[8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2-methylquinolin-4-yl]methanol
CID 177660785
2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
CID 11552812
3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
CID 69350180
1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
CID 69350759
1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]phenyl]pyridin-3-yl]propan-2-ol
CID 69350775
1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;propan-2-imine
CID 145664592
[2,4-Dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-1-ium-6-yl]-(3-fluorocyclohexa-1,5-dien-1-yl)-pyridin-3-ylmethanol
CID 163857198
4-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]quinolin-6-yl]-1-(1-methylpyrazol-4-yl)piperidin-4-ol
CID 169683557
1,1,1-trifluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol
CID 72700055
2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol
CID 145182255

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol (CID 56752167) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol is Cc1ccc2cc(C3(O)CCN(Cc4c(C)n[nH]c4C)CC3)ccc2n1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The InChIKey is KSEJVDAULLDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-4-5-17-12-18(6-7-20(17)22-14)21(26)8-10-25(11-9-21)13-19-15(2)23-24-16(19)3/h4-7,12,26H,8-11,13H2,1-3H3,(H,23,24).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol has a molecular weight of 350.47 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol is sourced from PubChem (CID 56752167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).