1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone

C24H23N5O2 — CID 92630676

IUPAC1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCc1nn(-c2ccccn2)c2nc([C@H]3CCCN3C(=O)COc3ccccc3)ccc12
InChIInChI=1S/C24H23N5O2/c1-17-19-12-13-20(26-24(19)29(27-17)22-11-5-6-14-25-22)21-10-7-15-28(21)23(30)16-31-18-8-3-2-4-9-18/h2-6,8-9,11-14,21H,7,10,15-16H2,1H3/t21-/m1/s1
InChIKeyZZJPYGWVMHFYPG-OAQYLSRUSA-N
MW413.48 g/mol
LogP3.87
Rot. Bonds5

About 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 92630676) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID92630676
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCc1nn(-c2ccccn2)c2nc([C@H]3CCCN3C(=O)COc3ccccc3)ccc12
InChIInChI=1S/C24H23N5O2/c1-17-19-12-13-20(26-24(19)29(27-17)22-11-5-6-14-25-22)21-10-7-15-28(21)23(30)16-31-18-8-3-2-4-9-18/h2-6,8-9,11-14,21H,7,10,15-16H2,1H3/t21-/m1/s1
InChIKeyZZJPYGWVMHFYPG-OAQYLSRUSA-N
XLogP3.87
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenoxy)-1-[(2R)-2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]ethanone
CID 95834511
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
1-[2-(1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenoxyethanone
CID 141173736
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone (CID 92630676) is 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone is Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3C(=O)COc3ccccc3)ccc12.
What is the InChIKey of 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is ZZJPYGWVMHFYPG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17-19-12-13-20(26-24(19)29(27-17)22-11-5-6-14-25-22)21-10-7-15-28(21)23(30)16-31-18-8-3-2-4-9-18/h2-6,8-9,11-14,21H,7,10,15-16H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 413.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 92630676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).