4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

C25H24Cl2N6O2 — CID 71602865

IUPAC4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)ccn1
InChIInChI=1S/C25H24Cl2N6O2/c26-20-2-1-3-21(27)24(20)31-18-4-5-23-17(14-18)16-30-33(23)19-6-7-28-22(15-19)25(34)29-8-9-32-10-12-35-13-11-32/h1-7,14-16,31H,8-13H2,(H,29,34)
InChIKeyLARBATGPSUALDD-UHFFFAOYSA-N
MW511.41 g/mol
LogP4.53
Rot. Bonds7

About 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 71602865) has the molecular formula C25H24Cl2N6O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
PubChem CID71602865
Molecular FormulaC25H24Cl2N6O2
Molecular Weight511.41 g/mol
Exact Mass510.13
IUPAC Name4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)ccn1
InChIInChI=1S/C25H24Cl2N6O2/c26-20-2-1-3-21(27)24(20)31-18-4-5-23-17(14-18)16-30-33(23)19-6-7-28-22(15-19)25(34)29-8-9-32-10-12-35-13-11-32/h1-7,14-16,31H,8-13H2,(H,29,34)
InChIKeyLARBATGPSUALDD-UHFFFAOYSA-N
XLogP4.53
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185766
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307
N-(2-morpholin-4-ylethyl)-2-[5-(pyridin-3-ylamino)indazol-1-yl]pyridine-4-carboxamide
CID 117075458
3-[5-(2-fluoro-6-nitroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117076085
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207509
3-[5-(2,6-dichloroanilino)indazol-1-yl]-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 117075643
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301626
N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide
CID 117076700
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (CID 71602865) is 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCOCC1)c1cc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)ccn1.
What is the InChIKey of 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is LARBATGPSUALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O2/c26-20-2-1-3-21(27)24(20)31-18-4-5-23-17(14-18)16-30-33(23)19-6-7-28-22(15-19)25(34)29-8-9-32-10-12-35-13-11-32/h1-7,14-16,31H,8-13H2,(H,29,34).
What are the key properties of 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 511.41 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71602865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).