4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide

C32H29N5O3 — CID 67371157

IUPAC4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1-c1cccc(C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C32H29N5O3/c1-21-17-24(32(39)34-26-8-10-28(11-9-26)37-13-15-40-16-14-37)6-12-29(21)22-3-2-4-23(18-22)31(38)35-27-7-5-25-20-33-36-30(25)19-27/h2-12,17-20H,13-16H2,1H3,(H,33,36)(H,34,39)(H,35,38)
InChIKeyQRDANHBXBWBUSZ-UHFFFAOYSA-N
MW531.62 g/mol
LogP5.88
Rot. Bonds6

About 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide

4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 67371157) has the molecular formula C32H29N5O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID67371157
Molecular FormulaC32H29N5O3
Molecular Weight531.62 g/mol
Exact Mass531.23
IUPAC Name4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1-c1cccc(C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C32H29N5O3/c1-21-17-24(32(39)34-26-8-10-28(11-9-26)37-13-15-40-16-14-37)6-12-29(21)22-3-2-4-23(18-22)31(38)35-27-7-5-25-20-33-36-30(25)19-27/h2-12,17-20H,13-16H2,1H3,(H,33,36)(H,34,39)(H,35,38)
InChIKeyQRDANHBXBWBUSZ-UHFFFAOYSA-N
XLogP5.88
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 25221578
4-[3-[(3-bromophenyl)carbamoyl]phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374630
tert-butyl N-[3-methyl-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]phenyl]carbamate
CID 59822359
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 24788668
N-morpholin-4-yl-1H-indazole-6-carboxamide
CID 78974867
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-(1H-indazol-6-yl)-3-methyl-4-nitrobenzamide
CID 36560800
N-(3-piperidin-1-ylphenyl)-1H-indazole-5-carboxamide
CID 166219800
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 67371157) is 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide is Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1-c1cccc(C(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is QRDANHBXBWBUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O3/c1-21-17-24(32(39)34-26-8-10-28(11-9-26)37-13-15-40-16-14-37)6-12-29(21)22-3-2-4-23(18-22)31(38)35-27-7-5-25-20-33-36-30(25)19-27/h2-12,17-20H,13-16H2,1H3,(H,33,36)(H,34,39)(H,35,38).
What are the key properties of 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 531.62 g/mol, XLogP of 5.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 67371157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).