1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

C26H30FN7O5 — CID 69186906

IUPAC1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCOc1c(F)cc(N2CCOCC2)cc1C(=O)Nc1cnc(C)c(-n2cc(C(=O)NCC3CCCO3)nn2)c1
InChIInChI=1S/C26H30FN7O5/c1-16-23(34-15-22(31-32-34)26(36)29-14-19-4-3-7-39-19)10-17(13-28-16)30-25(35)20-11-18(12-21(27)24(20)37-2)33-5-8-38-9-6-33/h10-13,15,19H,3-9,14H2,1-2H3,(H,29,36)(H,30,35)
InChIKeyHESVGEDFVWFVLB-UHFFFAOYSA-N
MW539.57 g/mol
LogP2.12
Rot. Bonds8

About 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 69186906) has the molecular formula C26H30FN7O5 and a molecular weight of 539.57 g/mol. Its IUPAC name is 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID69186906
Molecular FormulaC26H30FN7O5
Molecular Weight539.57 g/mol
Exact Mass539.23
IUPAC Name1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCOc1c(F)cc(N2CCOCC2)cc1C(=O)Nc1cnc(C)c(-n2cc(C(=O)NCC3CCCO3)nn2)c1
InChIInChI=1S/C26H30FN7O5/c1-16-23(34-15-22(31-32-34)26(36)29-14-19-4-3-7-39-19)10-17(13-28-16)30-25(35)20-11-18(12-21(27)24(20)37-2)33-5-8-38-9-6-33/h10-13,15,19H,3-9,14H2,1-2H3,(H,29,36)(H,30,35)
InChIKeyHESVGEDFVWFVLB-UHFFFAOYSA-N
XLogP2.12
TPSA132.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.57
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-fluoro-2-methoxy-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 69186900
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 91567682
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
CID 69187079
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95102243
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
5-(2-morpholin-4-ylethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184925
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 69186906) is 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is COc1c(F)cc(N2CCOCC2)cc1C(=O)Nc1cnc(C)c(-n2cc(C(=O)NCC3CCCO3)nn2)c1.
What is the InChIKey of 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is HESVGEDFVWFVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O5/c1-16-23(34-15-22(31-32-34)26(36)29-14-19-4-3-7-39-19)10-17(13-28-16)30-25(35)20-11-18(12-21(27)24(20)37-2)33-5-8-38-9-6-33/h10-13,15,19H,3-9,14H2,1-2H3,(H,29,36)(H,30,35).
What are the key properties of 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 539.57 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 69186906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).