5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C30H33N5O3 — CID 70938094

IUPAC5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2
InChIInChI=1S/C30H33N5O3/c1-19-26(16-23-28-22(20-8-11-31-12-9-20)6-5-7-24(28)33-29(23)37)32-25-10-15-35(30(38)27(19)25)18-21(36)17-34-13-3-2-4-14-34/h5-9,11-12,16,21,32,36H,2-4,10,13-15,17-18H2,1H3,(H,33,37)/b23-16-
InChIKeyZVQDCMXXIOENOF-KQWNVCNZSA-N
MW511.63 g/mol
LogP3.72
Rot. Bonds6

About 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 70938094) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID70938094
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2
InChIInChI=1S/C30H33N5O3/c1-19-26(16-23-28-22(20-8-11-31-12-9-20)6-5-7-24(28)33-29(23)37)32-25-10-15-35(30(38)27(19)25)18-21(36)17-34-13-3-2-4-14-34/h5-9,11-12,16,21,32,36H,2-4,10,13-15,17-18H2,1H3,(H,33,37)/b23-16-
InChIKeyZVQDCMXXIOENOF-KQWNVCNZSA-N
XLogP3.72
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 70938094) is 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is Cc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.
What is the InChIKey of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZVQDCMXXIOENOF-KQWNVCNZSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-19-26(16-23-28-22(20-8-11-31-12-9-20)6-5-7-24(28)33-29(23)37)32-25-10-15-35(30(38)27(19)25)18-21(36)17-34-13-3-2-4-14-34/h5-9,11-12,16,21,32,36H,2-4,10,13-15,17-18H2,1H3,(H,33,37)/b23-16-.
What are the key properties of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 511.63 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 70938094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).