N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide

C25H25N5O2 — CID 117076700

IUPACN-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-n2ncc3ccc(-c4ccncc4)cc32)c1
InChIInChI=1S/C25H25N5O2/c31-25(27-10-11-29-12-14-32-15-13-29)21-2-1-3-23(16-21)30-24-17-20(4-5-22(24)18-28-30)19-6-8-26-9-7-19/h1-9,16-18H,10-15H2,(H,27,31)
InChIKeyJZIVULIMJQNDDR-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.15
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide

N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide (PubChem CID 117076700) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide
PubChem CID117076700
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-n2ncc3ccc(-c4ccncc4)cc32)c1
InChIInChI=1S/C25H25N5O2/c31-25(27-10-11-29-12-14-32-15-13-29)21-2-1-3-23(16-21)30-24-17-20(4-5-22(24)18-28-30)19-6-8-26-9-7-19/h1-9,16-18H,10-15H2,(H,27,31)
InChIKeyJZIVULIMJQNDDR-UHFFFAOYSA-N
XLogP3.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide
CID 117077351
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307
3-(5-anilinopyrazolo[3,4-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 117076338
3-[5-(2-fluoro-6-nitroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117076085
4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71602865
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
3-imidazo[1,2-b]pyridazin-3-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 122562053
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide (CID 117076700) is N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide is O=C(NCCN1CCOCC1)c1cccc(-n2ncc3ccc(-c4ccncc4)cc32)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide?
The InChIKey is JZIVULIMJQNDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-25(27-10-11-29-12-14-32-15-13-29)21-2-1-3-23(16-21)30-24-17-20(4-5-22(24)18-28-30)19-6-8-26-9-7-19/h1-9,16-18H,10-15H2,(H,27,31).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide?
N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide is sourced from PubChem (CID 117076700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).