2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide

C26H25ClN4O2 — CID 92736744

IUPAC2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
SMILESCc1[nH]c2ccc(NC(=O)c3ccccc3Cl)cc2c1[C@@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C26H25ClN4O2/c1-17-24(25(23-8-4-5-11-28-23)31-12-14-33-15-13-31)20-16-18(9-10-22(20)29-17)30-26(32)19-6-2-3-7-21(19)27/h2-11,16,25,29H,12-15H2,1H3,(H,30,32)/t25-/m1/s1
InChIKeyUJHRMIBXSJBAAX-RUZDIDTESA-N
MW460.97 g/mol
LogP5.20
Rot. Bonds5

About 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide

2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide (PubChem CID 92736744) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
PubChem CID92736744
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
SMILESCc1[nH]c2ccc(NC(=O)c3ccccc3Cl)cc2c1[C@@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C26H25ClN4O2/c1-17-24(25(23-8-4-5-11-28-23)31-12-14-33-15-13-31)20-16-18(9-10-22(20)29-17)30-26(32)19-6-2-3-7-21(19)27/h2-11,16,25,29H,12-15H2,1H3,(H,30,32)/t25-/m1/s1
InChIKeyUJHRMIBXSJBAAX-RUZDIDTESA-N
XLogP5.20
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.97
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide with MolForge

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Related Compounds

4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 50750851
4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736687
2-fluoro-N-[2-methyl-3-[piperidin-1-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 46270110
4-fluoro-N-[2-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736686
N-(2,3-dimethyl-1H-indol-5-yl)pyridine-2-carboxamide
CID 140508282
4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
CID 729468
N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
CID 50750861
N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide
CID 92501196
N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]furan-2-carboxamide
CID 92501188
4-methoxy-N-[2-methyl-3-[(2-methylanilino)-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
CID 50750893
2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 118695126
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide (CID 92736744) is 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide is Cc1[nH]c2ccc(NC(=O)c3ccccc3Cl)cc2c1[C@@H](c1ccccn1)N1CCOCC1.
What is the InChIKey of 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The InChIKey is UJHRMIBXSJBAAX-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-17-24(25(23-8-4-5-11-28-23)31-12-14-33-15-13-31)20-16-18(9-10-22(20)29-17)30-26(32)19-6-2-3-7-21(19)27/h2-11,16,25,29H,12-15H2,1H3,(H,30,32)/t25-/m1/s1.
What are the key properties of 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide has a molecular weight of 460.97 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 92736744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).