N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

C31H28N6O3 — CID 25221578

IUPACN-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cn1
InChIInChI=1S/C31H28N6O3/c1-20-2-3-21(30(38)34-24-7-9-26(10-8-24)37-12-14-40-15-13-37)16-27(20)28-11-5-23(18-32-28)31(39)35-25-6-4-22-19-33-36-29(22)17-25/h2-11,16-19H,12-15H2,1H3,(H,33,36)(H,34,38)(H,35,39)
InChIKeyVNDDTJXHRWZTMF-UHFFFAOYSA-N
MW532.60 g/mol
LogP5.27
Rot. Bonds6

About N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 25221578) has the molecular formula C31H28N6O3 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID25221578
Molecular FormulaC31H28N6O3
Molecular Weight532.60 g/mol
Exact Mass532.22
IUPAC NameN-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cn1
InChIInChI=1S/C31H28N6O3/c1-20-2-3-21(30(38)34-24-7-9-26(10-8-24)37-12-14-40-15-13-37)16-27(20)28-11-5-23(18-32-28)31(39)35-25-6-4-22-19-33-36-29(22)17-25/h2-11,16-19H,12-15H2,1H3,(H,33,36)(H,34,38)(H,35,39)
InChIKeyVNDDTJXHRWZTMF-UHFFFAOYSA-N
XLogP5.27
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67371157
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 24788668
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 58829111
N-(1H-indazol-6-yl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574865
N-morpholin-4-yl-1H-indazole-6-carboxamide
CID 78974867
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374524
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 25221578) is N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cn1.
What is the InChIKey of N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VNDDTJXHRWZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O3/c1-20-2-3-21(30(38)34-24-7-9-26(10-8-24)37-12-14-40-15-13-37)16-27(20)28-11-5-23(18-32-28)31(39)35-25-6-4-22-19-33-36-29(22)17-25/h2-11,16-19H,12-15H2,1H3,(H,33,36)(H,34,38)(H,35,39).
What are the key properties of N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25221578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).