N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C43H37Cl6F9N15O4P — CID 162130185

About N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid

N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 162130185) has the molecular formula C43H37Cl6F9N15O4P and a molecular weight of 1242.54 g/mol. Its IUPAC name is N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• PubChem CID: 162130185
• Molecular Formula: C43H37Cl6F9N15O4P
• Molecular Weight: 1242.54 g/mol
• Exact Mass: 1239.09
• IUPAC Name: N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• SMILES: C.FC(F)(F)c1ncncc1-c1nc2ccc(Cl)nc2n1C1CC1.Nc1ccc(Cl)nc1NC1CC1.O=C(Nc1ccc(Cl)nc1NC1CC1)c1cncnc1C(F)(F)F.O=C(O)c1cncnc1C(F)(F)F.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C14H11ClF3N5O.C14H9ClF3N5.C8H10ClN3.C6H3F3N2O2.CH4.Cl3OP/c15-10-4-3-9(12(23-10)21-7-1-2-7)22-13(24)8-5-19-6-20-11(8)14(16,17)18;15-10-4-3-9-13(22-10)23(7-1-2-7)12(21-9)8-5-19-6-20-11(8)14(16,17)18;9-7-4-3-6(10)8(12-7)11-5-1-2-5;7-6(8,9)4-3(5(12)13)1-10-2-11-4;;1-5(2,3)4/h3-7H,1-2H2,(H,21,23)(H,22,24);3-7H,1-2H2;3-5H,1-2,10H2,(H,11,12);1-2H,(H,12,13);1H4
• InChIKey: ZIOGPTYFZXXLHE-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 267.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.54
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The IUPAC name of N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 162130185) is N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

What is the SMILES notation for N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The canonical SMILES for N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid is C.FC(F)(F)c1ncncc1-c1nc2ccc(Cl)nc2n1C1CC1.Nc1ccc(Cl)nc1NC1CC1.O=C(Nc1ccc(Cl)nc1NC1CC1)c1cncnc1C(F)(F)F.O=C(O)c1cncnc1C(F)(F)F.O=P(Cl)(Cl)Cl.

What is the InChIKey of N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The InChIKey is ZIOGPTYFZXXLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N5O.C14H9ClF3N5.C8H10ClN3.C6H3F3N2O2.CH4.Cl3OP/c15-10-4-3-9(12(23-10)21-7-1-2-7)22-13(24)8-5-19-6-20-11(8)14(16,17)18;15-10-4-3-9-13(22-10)23(7-1-2-7)12(21-9)8-5-19-6-20-11(8)14(16,17)18;9-7-4-3-6(10)8(12-7)11-5-1-2-5;7-6(8,9)4-3(5(12)13)1-10-2-11-4;;1-5(2,3)4/h3-7H,1-2H2,(H,21,23)(H,22,24);3-7H,1-2H2;3-5H,1-2,10H2,(H,11,12);1-2H,(H,12,13);1H4;.

What are the key properties of N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 1242.54 g/mol, XLogP of 13.80, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;5-chloro-3-cyclopropyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;methane;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 162130185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).