4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

C20H17Cl2N3O — CID 130444893

IUPAC4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4Cl)c3c2)CC1
InChIInChI=1S/C20H17Cl2N3O/c21-18-4-3-17(19(22)10-18)12-25-20-9-15(1-2-16(20)11-23-25)14-5-7-24(13-26)8-6-14/h1-5,9-11,13H,6-8,12H2
InChIKeyJRMMBTFCKFQILM-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.64
Rot. Bonds4

About 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 130444893) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID130444893
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4Cl)c3c2)CC1
InChIInChI=1S/C20H17Cl2N3O/c21-18-4-3-17(19(22)10-18)12-25-20-9-15(1-2-16(20)11-23-25)14-5-7-24(13-26)8-6-14/h1-5,9-11,13H,6-8,12H2
InChIKeyJRMMBTFCKFQILM-UHFFFAOYSA-N
XLogP4.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 130444893) is 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is O=CN1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4Cl)c3c2)CC1.
What is the InChIKey of 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is JRMMBTFCKFQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-18-4-3-17(19(22)10-18)12-25-20-9-15(1-2-16(20)11-23-25)14-5-7-24(13-26)8-6-14/h1-5,9-11,13H,6-8,12H2.
What are the key properties of 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 386.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-dichlorophenyl)methyl]indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 130444893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).