2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol

C24H28N4O2 — CID 121314181

IUPAC[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone
SMILESC[C@@H]1CC[C@H](CN1C(=O)C2=C(N=CC=C2)C3=CC=CC=C3)N4C=C(C=N4)C(C)(C)O
InChIInChI=1S/C24H28N4O2/c1-17-11-12-20(28-15-19(14-26-28)24(2,3)30)16-27(17)23(29)21-10-7-13-25-22(21)18-8-5-4-6-9-18/h4-10,13-15,17,20,30H,11-12,16H2,1-3H3/t17-,20-/m1/s1
InChIKeyDRLTUFVNOKZXGG-YLJYHZDGSA-N
MW404.50 g/mol
LogP2.60
Rot. Bonds4

About 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol

2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol (PubChem CID 121314181) has the molecular formula C24H28N4O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol
PubChem CID121314181
Molecular FormulaC24H28N4O2
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone
SMILESC[C@@H]1CC[C@H](CN1C(=O)C2=C(N=CC=C2)C3=CC=CC=C3)N4C=C(C=N4)C(C)(C)O
InChIInChI=1S/C24H28N4O2/c1-17-11-12-20(28-15-19(14-26-28)24(2,3)30)16-27(17)23(29)21-10-7-13-25-22(21)18-8-5-4-6-9-18/h4-10,13-15,17,20,30H,11-12,16H2,1-3H3/t17-,20-/m1/s1
InChIKeyDRLTUFVNOKZXGG-YLJYHZDGSA-N
XLogP2.60
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity592

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

Edecesertib
CID 147817927
FK-352
CID 6442241
3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
CID 24995075
sEH-IN-12
CID 118902251
2,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188589
1-[3-[3-(2-Propylpiperidine-1-carbonyl)phenyl]phenyl]-5-(2-pyridin-3-ylcyclopropyl)pyrazole-4-carboxylic acid
CID 126754761
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009

Frequently Asked Questions

What is the IUPAC name of 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol?
The IUPAC name of 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol (CID 121314181) is [(2R,5R)-5-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]-2-methylpiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol is C[C@@H]1CC[C@H](CN1C(=O)C2=C(N=CC=C2)C3=CC=CC=C3)N4C=C(C=N4)C(C)(C)O.
What is the InChIKey of 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol?
The InChIKey is DRLTUFVNOKZXGG-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-11-12-20(28-15-19(14-26-28)24(2,3)30)16-27(17)23(29)21-10-7-13-25-22(21)18-8-5-4-6-9-18/h4-10,13-15,17,20,30H,11-12,16H2,1-3H3/t17-,20-/m1/s1.
What are the key properties of 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol?
2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol has a molecular weight of 404.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-{(3R,6R)-6-Methyl-1-[(2-phenylpyridin-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 121314181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).