[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C21H26N6O2 — CID 92606474

IUPAC[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cn1
InChIInChI=1S/C21H26N6O2/c1-25(2)11-12-27-20-17(5-4-9-22-20)19(24-27)16-8-10-26(14-16)21(28)15-6-7-18(29-3)23-13-15/h4-7,9,13,16H,8,10-12,14H2,1-3H3/t16-/m1/s1
InChIKeyDSQIKSVKHPURTD-MRXNPFEDSA-N
MW394.48 g/mol
LogP2.03
Rot. Bonds6

About [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 92606474) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID92606474
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cn1
InChIInChI=1S/C21H26N6O2/c1-25(2)11-12-27-20-17(5-4-9-22-20)19(24-27)16-8-10-26(14-16)21(28)15-6-7-18(29-3)23-13-15/h4-7,9,13,16H,8,10-12,14H2,1-3H3/t16-/m1/s1
InChIKeyDSQIKSVKHPURTD-MRXNPFEDSA-N
XLogP2.03
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxycyclohexyl)methanone
CID 98136217
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]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92590299
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
2-[3-(1-ethylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
CID 110242119
[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110242194
[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 92558770
N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
CID 95805220
[(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]-(2,4-dimethoxyphenyl)methanone
CID 92594708

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]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 92606474) is [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cn1.
What is the InChIKey of [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is DSQIKSVKHPURTD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25(2)11-12-27-20-17(5-4-9-22-20)19(24-27)16-8-10-26(14-16)21(28)15-6-7-18(29-3)23-13-15/h4-7,9,13,16H,8,10-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 394.48 g/mol, XLogP of 2.03, 6 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]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 92606474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).