[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

C20H23N5O — CID 120748806

IUPAC[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCC(C)n1ncc2cc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)cnc21
InChIInChI=1S/C20H23N5O/c1-13(2)25-19-15(10-23-25)8-16(9-22-19)20(26)24-11-17(18(21)12-24)14-6-4-3-5-7-14/h3-10,13,17-18H,11-12,21H2,1-2H3/t17-,18+/m0/s1
InChIKeyIWNQYZQMZDLQCL-ZWKOTPCHSA-N
MW349.44 g/mol
LogP2.58
Rot. Bonds3

About [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 120748806) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID120748806
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCC(C)n1ncc2cc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)cnc21
InChIInChI=1S/C20H23N5O/c1-13(2)25-19-15(10-23-25)8-16(9-22-19)20(26)24-11-17(18(21)12-24)14-6-4-3-5-7-14/h3-10,13,17-18H,11-12,21H2,1-2H3/t17-,18+/m0/s1
InChIKeyIWNQYZQMZDLQCL-ZWKOTPCHSA-N
XLogP2.58
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenylpyrrolidin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 146124235
3,4-dihydro-1H-isoquinolin-2-yl-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17461214
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
CID 120749380
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120749957
ethyl 4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate
CID 18132052
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17482339
(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42929602
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 120748136
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 120746721
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 120747193
(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120766752

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (CID 120748806) is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is CC(C)n1ncc2cc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)cnc21.
What is the InChIKey of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is IWNQYZQMZDLQCL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)25-19-15(10-23-25)8-16(9-22-19)20(26)24-11-17(18(21)12-24)14-6-4-3-5-7-14/h3-10,13,17-18H,11-12,21H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 120748806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).