2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

C25H32N6O2 — CID 110264640

IUPAC2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCCC2c2ccc3c(NC4CCN(C)CC4)n[nH]c3n2)c1
InChIInChI=1S/C25H32N6O2/c1-30-13-10-18(11-14-30)26-24-20-8-9-21(27-25(20)29-28-24)22-7-4-12-31(22)23(32)16-17-5-3-6-19(15-17)33-2/h3,5-6,8-9,15,18,22H,4,7,10-14,16H2,1-2H3,(H2,26,27,28,29)
InChIKeyUEMYQKROLPTEKU-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.38
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110264640) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
PubChem CID110264640
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCCC2c2ccc3c(NC4CCN(C)CC4)n[nH]c3n2)c1
InChIInChI=1S/C25H32N6O2/c1-30-13-10-18(11-14-30)26-24-20-8-9-21(27-25(20)29-28-24)22-7-4-12-31(22)23(32)16-17-5-3-6-19(15-17)33-2/h3,5-6,8-9,15,18,22H,4,7,10-14,16H2,1-2H3,(H2,26,27,28,29)
InChIKeyUEMYQKROLPTEKU-UHFFFAOYSA-N
XLogP3.38
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95835184
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
1-[2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]azepan-1-yl]-2-(3-methoxyphenyl)ethanone
CID 46952877
1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110264641
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94627524
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214719
1-[(2R)-2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124949520
1-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110266094
2-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81484743
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 75866663
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone (CID 110264640) is 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone is COc1cccc(CC(=O)N2CCCC2c2ccc3c(NC4CCN(C)CC4)n[nH]c3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is UEMYQKROLPTEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-30-13-10-18(11-14-30)26-24-20-8-9-21(27-25(20)29-28-24)22-7-4-12-31(22)23(32)16-17-5-3-6-19(15-17)33-2/h3,5-6,8-9,15,18,22H,4,7,10-14,16H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 448.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110264640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).