[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

C23H25N3O2 — CID 135110871

IUPAC[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1C[C@@H](Cc2ccncc2)[C@@H](O)C1
InChIInChI=1S/C23H25N3O2/c27-21-14-26(13-16(21)12-15-8-10-24-11-9-15)23(28)19-6-3-5-18-17-4-1-2-7-20(17)25-22(18)19/h3,5-6,8-11,16,21,25,27H,1-2,4,7,12-14H2/t16-,21+/m1/s1
InChIKeyQJWLDNRXODSWKE-IERDGZPVSA-N
MW375.47 g/mol
LogP3.12
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone (PubChem CID 135110871) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
PubChem CID135110871
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1C[C@@H](Cc2ccncc2)[C@@H](O)C1
InChIInChI=1S/C23H25N3O2/c27-21-14-26(13-16(21)12-15-8-10-24-11-9-15)23(28)19-6-3-5-18-17-4-1-2-7-20(17)25-22(18)19/h3,5-6,8-11,16,21,25,27H,1-2,4,7,12-14H2/t16-,21+/m1/s1
InChIKeyQJWLDNRXODSWKE-IERDGZPVSA-N
XLogP3.12
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 135101005
(3-fluoro-4-pyridinyl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155917184
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 146090949
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 90651430
(1,2-dimethylpyrrol-3-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135093804
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406
3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 135103434
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 37253115
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34989521
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone
CID 175644974
(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135104836

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone (CID 135110871) is [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone is O=C(c1cccc2c3c([nH]c12)CCCC3)N1C[C@@H](Cc2ccncc2)[C@@H](O)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The InChIKey is QJWLDNRXODSWKE-IERDGZPVSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21-14-26(13-16(21)12-15-8-10-24-11-9-15)23(28)19-6-3-5-18-17-4-1-2-7-20(17)25-22(18)19/h3,5-6,8-11,16,21,25,27H,1-2,4,7,12-14H2/t16-,21+/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone is sourced from PubChem (CID 135110871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).