[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C34H33ClN6O2 — CID 149366317

IUPAC[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCC1c1ccncc1
InChIInChI=1S/C34H33ClN6O2/c35-28-11-9-27(10-12-28)34(43)15-21-39(22-16-34)30-4-2-20-41-32(30)37-31(38-41)23-24-5-7-26(8-6-24)33(42)40-19-1-3-29(40)25-13-17-36-18-14-25/h2,4-14,17-18,20,29,43H,1,3,15-16,19,21-23H2
InChIKeyYIXOYNXZTSXFMO-UHFFFAOYSA-N
MW593.13 g/mol
LogP5.83
Rot. Bonds6

About [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 149366317) has the molecular formula C34H33ClN6O2 and a molecular weight of 593.13 g/mol. Its IUPAC name is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID149366317
Molecular FormulaC34H33ClN6O2
Molecular Weight593.13 g/mol
Exact Mass592.24
IUPAC Name[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCC1c1ccncc1
InChIInChI=1S/C34H33ClN6O2/c35-28-11-9-27(10-12-28)34(43)15-21-39(22-16-34)30-4-2-20-41-32(30)37-31(38-41)23-24-5-7-26(8-6-24)33(42)40-19-1-3-29(40)25-13-17-36-18-14-25/h2,4-14,17-18,20,29,43H,1,3,15-16,19,21-23H2
InChIKeyYIXOYNXZTSXFMO-UHFFFAOYSA-N
XLogP5.83
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.13
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 158643850
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanone
CID 139362671
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 43060389
[4-[(2S)-2-pyridin-4-ylazepane-1-carbonyl]phenyl]methylurea
CID 97012051
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475
4-(4-chlorophenyl)-1-[2-[4-[(1,2-dimethylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid
CID 121434858
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24658259
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[3-(methoxymethyl)phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86920457

Frequently Asked Questions

What is the IUPAC name of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 149366317) is [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Cc2nc3c(N4CCC(O)(c5ccc(Cl)cc5)CC4)cccn3n2)cc1)N1CCCC1c1ccncc1.
What is the InChIKey of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is YIXOYNXZTSXFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClN6O2/c35-28-11-9-27(10-12-28)34(43)15-21-39(22-16-34)30-4-2-20-41-32(30)37-31(38-41)23-24-5-7-26(8-6-24)33(42)40-19-1-3-29(40)25-13-17-36-18-14-25/h2,4-14,17-18,20,29,43H,1,3,15-16,19,21-23H2.
What are the key properties of [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
[4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 593.13 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 149366317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).