1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C21H28N4O2 — CID 56741903

IUPAC1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)nc1
InChIInChI=1S/C21H28N4O2/c1-15-6-8-19(22-14-15)21(27)10-12-25(13-11-21)20(26)9-7-18-16-4-2-3-5-17(16)23-24-18/h6,8,14,27H,2-5,7,9-13H2,1H3,(H,23,24)
InChIKeyQUZZMVLRKHKXIB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 56741903) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID56741903
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)nc1
InChIInChI=1S/C21H28N4O2/c1-15-6-8-19(22-14-15)21(27)10-12-25(13-11-21)20(26)9-7-18-16-4-2-3-5-17(16)23-24-18/h6,8,14,27H,2-5,7,9-13H2,1H3,(H,23,24)
InChIKeyQUZZMVLRKHKXIB-UHFFFAOYSA-N
XLogP2.43
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70768817
1-(3-Phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyridin-3-ylethanone
CID 53185462
1-[3-(4-Methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
CID 53185509
3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810229
3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810359
1-[(5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)carbonyl]-4-pyridin-2-ylpiperidin-4-ol
CID 50967796
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 91838716
1-[3-(Hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
CID 118787539
(+/-)-5-(4-Fluorophenyl)-3-(7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(pyridin-4-yl)pyrazole
CID 9929658
3-Hydroxy-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]-3-(trifluoromethyl)indol-2-one
CID 89681884
1-[4-[3-[5-[(S)-(3-fluoro-1-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 166525414
1-[4-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-fluoropiperidin-1-yl]ethanone
CID 166525416

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 56741903) is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is Cc1ccc(C2(O)CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2)nc1.
What is the InChIKey of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is QUZZMVLRKHKXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-6-8-19(22-14-15)21(27)10-12-25(13-11-21)20(26)9-7-18-16-4-2-3-5-17(16)23-24-18/h6,8,14,27H,2-5,7,9-13H2,1H3,(H,23,24).
What are the key properties of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 368.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 56741903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).