3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

C27H29N5O2 — CID 117075307

IUPAC3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cccc(Nc2ccc3c(cnn3-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)c1
InChIInChI=1S/C27H29N5O2/c1-20-4-2-6-23(16-20)30-24-8-9-26-22(17-24)19-29-32(26)25-7-3-5-21(18-25)27(33)28-10-11-31-12-14-34-15-13-31/h2-9,16-19,30H,10-15H2,1H3,(H,28,33)
InChIKeyXNZFQVCRBLCUES-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.14
Rot. Bonds7

About 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 117075307) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID117075307
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cccc(Nc2ccc3c(cnn3-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)c1
InChIInChI=1S/C27H29N5O2/c1-20-4-2-6-23(16-20)30-24-8-9-26-22(17-24)19-29-32(26)25-7-3-5-21(18-25)27(33)28-10-11-31-12-14-34-15-13-31/h2-9,16-19,30H,10-15H2,1H3,(H,28,33)
InChIKeyXNZFQVCRBLCUES-UHFFFAOYSA-N
XLogP4.14
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-fluoro-6-nitroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117076085
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
3-(5-anilinopyrazolo[3,4-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 117076338
N-(2-morpholin-4-ylethyl)-2-[5-(pyridin-3-ylamino)indazol-1-yl]pyridine-4-carboxamide
CID 117075458
4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71602865
N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide
CID 117076700
N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide
CID 117077351
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 117075307) is 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1cccc(Nc2ccc3c(cnn3-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)c1.
What is the InChIKey of 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is XNZFQVCRBLCUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-20-4-2-6-23(16-20)30-24-8-9-26-22(17-24)19-29-32(26)25-7-3-5-21(18-25)27(33)28-10-11-31-12-14-34-15-13-31/h2-9,16-19,30H,10-15H2,1H3,(H,28,33).
What are the key properties of 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 455.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 117075307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).