4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde

C32H34N4O3 — CID 159193812

IUPAC4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(CC(=O)C(c5ccccn5)C5CCCC5)cc34)cc2)CC1
InChIInChI=1S/C32H34N4O3/c37-21-36-17-14-26(15-18-36)39-25-11-9-24(10-12-25)32-27-19-22(8-13-28(27)34-35-32)20-30(38)31(23-5-1-2-6-23)29-7-3-4-16-33-29/h3-4,7-13,16,19,21,23,26,31H,1-2,5-6,14-15,17-18,20H2,(H,34,35)
InChIKeyKOKLFHRUOUQZOP-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.71
Rot. Bonds9

About 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde

4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde (PubChem CID 159193812) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde
PubChem CID159193812
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(CC(=O)C(c5ccccn5)C5CCCC5)cc34)cc2)CC1
InChIInChI=1S/C32H34N4O3/c37-21-36-17-14-26(15-18-36)39-25-11-9-24(10-12-25)32-27-19-22(8-13-28(27)34-35-32)20-30(38)31(23-5-1-2-6-23)29-7-3-4-16-33-29/h3-4,7-13,16,19,21,23,26,31H,1-2,5-6,14-15,17-18,20H2,(H,34,35)
InChIKeyKOKLFHRUOUQZOP-UHFFFAOYSA-N
XLogP5.71
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
CID 147537837
1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
CID 147125187
N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 126626401
1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea
CID 86710953
N-[3-[4-[1-(2-fluoroethyl)piperidin-4-yl]oxyphenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 86710994
3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazole-5-carboxamide
CID 86711000
N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 86711054
2-(azetidin-1-yl)-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 86711069
1-methylpyrrolidine;4-[4-(8-methylquinolin-7-yl)phenoxy]piperidine-1-carbaldehyde
CID 145214187
N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 92577230
3-[4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 123524250
N-[cyclopropyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-1H-indazole-5-carboxamide
CID 123393878

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde?
The IUPAC name of 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde (CID 159193812) is 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde is O=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(CC(=O)C(c5ccccn5)C5CCCC5)cc34)cc2)CC1.
What is the InChIKey of 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde?
The InChIKey is KOKLFHRUOUQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c37-21-36-17-14-26(15-18-36)39-25-11-9-24(10-12-25)32-27-19-22(8-13-28(27)34-35-32)20-30(38)31(23-5-1-2-6-23)29-7-3-4-16-33-29/h3-4,7-13,16,19,21,23,26,31H,1-2,5-6,14-15,17-18,20H2,(H,34,35).
What are the key properties of 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde?
4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde has a molecular weight of 522.65 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3-cyclopentyl-2-oxo-3-pyridin-2-ylpropyl)-1H-indazol-3-yl]phenoxy]piperidine-1-carbaldehyde is sourced from PubChem (CID 159193812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).