N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide

C44H38Cl2F2N10O4S2 — CID 161490888

About N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 161490888) has the molecular formula C44H38Cl2F2N10O4S2 and a molecular weight of 943.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
• PubChem CID: 161490888
• Molecular Formula: C44H38Cl2F2N10O4S2
• Molecular Weight: 943.89 g/mol
• Exact Mass: 942.19
• IUPAC Name: N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1
• InChI: InChI=1S/C23H21ClFN5O2S.C21H17ClFN5O2S/c24-15-5-7-19(27-13-15)29-23(32)20-18(8-11-33-20)28-22(31)16-6-4-14(12-17(16)25)21(26)30-9-2-1-3-10-30;1-28-8-7-24-19(28)12-2-4-14(15(23)10-12)20(29)26-16-6-9-31-18(16)21(30)27-17-5-3-13(22)11-25-17/h4-8,11-13,26H,1-3,9-10H2,(H,28,31)(H,27,29,32);2-6,9-11H,7-8H2,1H3,(H,26,29)(H,25,27,30)/b26-21-
• InChIKey: WFPAMIIYAZDEMR-AURQPEIRSA-N
• XLogP: 9.38
• TPSA: 184.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.89
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide (CID 161490888) is N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide is CN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?

The InChIKey is WFPAMIIYAZDEMR-AURQPEIRSA-N. The full InChI is InChI=1S/C23H21ClFN5O2S.C21H17ClFN5O2S/c24-15-5-7-19(27-13-15)29-23(32)20-18(8-11-33-20)28-22(31)16-6-4-14(12-17(16)25)21(26)30-9-2-1-3-10-30;1-28-8-7-24-19(28)12-2-4-14(15(23)10-12)20(29)26-16-6-9-31-18(16)21(30)27-17-5-3-13(22)11-25-17/h4-8,11-13,26H,1-3,9-10H2,(H,28,31)(H,27,29,32);2-6,9-11H,7-8H2,1H3,(H,26,29)(H,25,27,30)/b26-21-;.

What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?

N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 943.89 g/mol, XLogP of 9.38, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 161490888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).