[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C21H28N6O2 — CID 92590299

IUPAC[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)no1
InChIInChI=1S/C21H28N6O2/c1-4-6-16-13-18(24-29-16)21(28)26-10-8-15(14-26)19-17-7-5-9-22-20(17)27(23-19)12-11-25(2)3/h5,7,9,13,15H,4,6,8,10-12,14H2,1-3H3/t15-/m1/s1
InChIKeyYIRQGBSIROQBOP-OAHLLOKOSA-N
MW396.50 g/mol
LogP2.56
Rot. Bonds7

About [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 92590299) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID92590299
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)no1
InChIInChI=1S/C21H28N6O2/c1-4-6-16-13-18(24-29-16)21(28)26-10-8-15(14-26)19-17-7-5-9-22-20(17)27(23-19)12-11-25(2)3/h5,7,9,13,15H,4,6,8,10-12,14H2,1-3H3/t15-/m1/s1
InChIKeyYIRQGBSIROQBOP-OAHLLOKOSA-N
XLogP2.56
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

3-cyclopentyl-1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]propan-1-one
CID 92606451
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92606474
2-[3-(1-ethylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
CID 110242119
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxycyclohexyl)methanone
CID 98136217
2-cyclopent-2-en-1-yl-1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 110242153
1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 110242149
1-[(2R)-1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 92550963
3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-[3-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
CID 92607910
N,N-dimethyl-2-[3-[(3R)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92560814
2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
CID 92558658
[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 92572077
[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 92558770

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 92590299) is [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)no1.
What is the InChIKey of [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YIRQGBSIROQBOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-4-6-16-13-18(24-29-16)21(28)26-10-8-15(14-26)19-17-7-5-9-22-20(17)27(23-19)12-11-25(2)3/h5,7,9,13,15H,4,6,8,10-12,14H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 396.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 92590299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).