3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

C26H24N6O3 — CID 121435284

IUPAC3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(c1cccc(-c2ccc3nccn3c2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1
InChIInChI=1S/C26H24N6O3/c33-24(20-4-1-3-19(15-20)21-6-7-23-27-10-14-30(23)16-21)29-12-8-26(35,9-13-29)17-31-18-28-32-11-2-5-22(32)25(31)34/h1-7,10-11,14-16,18,35H,8-9,12-13,17H2
InChIKeyIOTACLXBRDMWNB-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.48
Rot. Bonds4

About 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 121435284) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID121435284
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(c1cccc(-c2ccc3nccn3c2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1
InChIInChI=1S/C26H24N6O3/c33-24(20-4-1-3-19(15-20)21-6-7-23-27-10-14-30(23)16-21)29-12-8-26(35,9-13-29)17-31-18-28-32-11-2-5-22(32)25(31)34/h1-7,10-11,14-16,18,35H,8-9,12-13,17H2
InChIKeyIOTACLXBRDMWNB-UHFFFAOYSA-N
XLogP2.48
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-[4-hydroxy-4-[(4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl)methyl]piperidine-1-carbonyl]phenyl]-N,N-dimethylbenzamide
CID 171357967
3-[[4-hydroxy-1-[3-(5-methylthiophen-2-yl)benzoyl]piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 121435368
3-[[4-hydroxy-1-[4-[4-(piperidine-1-carbonyl)phenyl]benzoyl]piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 121435386
3-[[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 121435254
1-(4-chlorophenyl)-5-[[4-hydroxy-1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436879
2-benzyl-3-[4-hydroxy-4-[(4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl)methyl]piperidin-1-yl]-3-oxopropanenitrile
CID 121435245
7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one
CID 121435240
4-[3-[4-hydroxy-4-[(4-oxo-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-3-yl)methyl]piperidine-1-carbonyl]phenyl]benzonitrile
CID 169489903
3-[[1-[3-(4-chlorophenyl)benzoyl]-4-hydroxypiperidin-4-yl]methyl]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-one
CID 169489896
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436558
6-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-3-[3-(hydroxymethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-one
CID 122445102
5-[[1-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 121435284) is 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is O=C(c1cccc(-c2ccc3nccn3c2)c1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1.
What is the InChIKey of 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is IOTACLXBRDMWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c33-24(20-4-1-3-19(15-20)21-6-7-23-27-10-14-30(23)16-21)29-12-8-26(35,9-13-29)17-31-18-28-32-11-2-5-22(32)25(31)34/h1-7,10-11,14-16,18,35H,8-9,12-13,17H2.
What are the key properties of 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 468.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-(3-imidazo[1,2-a]pyridin-6-ylbenzoyl)piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 121435284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).