2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine

C23H31N5 — CID 92558658

IUPAC2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(CN2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C
InChIInChI=1S/C23H31N5/c1-17-7-8-19(14-18(17)2)15-27-11-9-20(16-27)22-21-6-5-10-24-23(21)28(25-22)13-12-26(3)4/h5-8,10,14,20H,9,11-13,15-16H2,1-4H3/t20-/m1/s1
InChIKeyWTMKQNWXZNEUSL-HXUWFJFHSA-N
MW377.54 g/mol
LogP3.60
Rot. Bonds6

About 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine

2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 92558658) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID92558658
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(CN2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C
InChIInChI=1S/C23H31N5/c1-17-7-8-19(14-18(17)2)15-27-11-9-20(16-27)22-21-6-5-10-24-23(21)28(25-22)13-12-26(3)4/h5-8,10,14,20H,9,11-13,15-16H2,1-4H3/t20-/m1/s1
InChIKeyWTMKQNWXZNEUSL-HXUWFJFHSA-N
XLogP3.60
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(1-ethylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
CID 110242119
2-[3-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 110242216
N-[2-[3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550522
N-[2-[3-[(3R)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550525
3-cyclopentyl-1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]propan-1-one
CID 92606451
N-[2-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242171
2-[3-[(3S)-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92580391
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(4-methoxycyclohexyl)methanone
CID 98136217
[(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-[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92600530
2-[3-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92561368

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine (CID 92558658) is 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine is Cc1ccc(CN2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C.
What is the InChIKey of 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is WTMKQNWXZNEUSL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N5/c1-17-7-8-19(14-18(17)2)15-27-11-9-20(16-27)22-21-6-5-10-24-23(21)28(25-22)13-12-26(3)4/h5-8,10,14,20H,9,11-13,15-16H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 377.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 92558658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).