[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone

C19H19N3O2 — CID 136587823

IUPAC[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2n1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H19N3O2/c23-18-12-22(11-14(18)10-13-4-2-1-3-5-13)19(24)17-7-6-15-16(21-17)8-9-20-15/h1-9,14,18,20,23H,10-12H2/t14-,18-/m1/s1
InChIKeyALDPZABVIJYRLX-RDTXWAMCSA-N
MW321.38 g/mol
LogP2.24
Rot. Bonds3

About [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone

[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone (PubChem CID 136587823) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone
PubChem CID136587823
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2n1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H19N3O2/c23-18-12-22(11-14(18)10-13-4-2-1-3-5-13)19(24)17-7-6-15-16(21-17)8-9-20-15/h1-9,14,18,20,23H,10-12H2/t14-,18-/m1/s1
InChIKeyALDPZABVIJYRLX-RDTXWAMCSA-N
XLogP2.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 155499230
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 136587831
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 136587827
(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide
CID 154781982
3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 135103434
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135112662
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135104836
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 110126598
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone?
The IUPAC name of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone (CID 136587823) is [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone?
The canonical SMILES for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone is O=C(c1ccc2[nH]ccc2n1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1.
What is the InChIKey of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone?
The InChIKey is ALDPZABVIJYRLX-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-12-22(11-14(18)10-13-4-2-1-3-5-13)19(24)17-7-6-15-16(21-17)8-9-20-15/h1-9,14,18,20,23H,10-12H2/t14-,18-/m1/s1.
What are the key properties of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone?
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone is sourced from PubChem (CID 136587823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).