potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium

C46H46Cl3F6K3N15O8P — CID 161200630

IUPACpotassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCC(C)(C)O.FC(F)c1ncncc1-c1nc2ccc(Cl)nc2n1C1CC1.Nc1ccc(Cl)nc1NC1CC1.O=C(Nc1ccc(Cl)nc1NC1CC1)c1cncnc1C(F)F.O=C(O)c1cncnc1C(F)F.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C14H12ClF2N5O.C14H10ClF2N5.C8H10ClN3.C6H4F2N2O2.C4H10O.3K.HO4P/c15-10-4-3-9(13(22-10)20-7-1-2-7)21-14(23)8-5-18-6-19-11(8)12(16)17;15-10-4-3-9-14(21-10)22(7-1-2-7)13(20-9)8-5-18-6-19-11(8)12(16)17;9-7-4-3-6(10)8(12-7)11-5-1-2-5;7-5(8)4-3(6(11)12)1-9-2-10-4;1-4(2,3)5;;;;1-4-5(2)3/h3-7,12H,1-2H2,(H,20,22)(H,21,23);3-7,12H,1-2H2;3-5H,1-2,10H2,(H,11,12);1-2,5H,(H,11,12);5H,1-3H3;;;;1H/q;;;;;;;+1;/p-1
InChIKeyUUXVWLIKYQSRFM-UHFFFAOYSA-M
MW1305.59 g/mol
LogP5.42
Rot. Bonds13

About potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 161200630) has the molecular formula C46H46Cl3F6K3N15O8P and a molecular weight of 1305.59 g/mol. Its IUPAC name is potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID161200630
Molecular FormulaC46H46Cl3F6K3N15O8P
Molecular Weight1305.59 g/mol
Exact Mass1303.13
IUPAC Namepotassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCC(C)(C)O.FC(F)c1ncncc1-c1nc2ccc(Cl)nc2n1C1CC1.Nc1ccc(Cl)nc1NC1CC1.O=C(Nc1ccc(Cl)nc1NC1CC1)c1cncnc1C(F)F.O=C(O)c1cncnc1C(F)F.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C14H12ClF2N5O.C14H10ClF2N5.C8H10ClN3.C6H4F2N2O2.C4H10O.3K.HO4P/c15-10-4-3-9(13(22-10)20-7-1-2-7)21-14(23)8-5-18-6-19-11(8)12(16)17;15-10-4-3-9-14(21-10)22(7-1-2-7)13(20-9)8-5-18-6-19-11(8)12(16)17;9-7-4-3-6(10)8(12-7)11-5-1-2-5;7-5(8)4-3(6(11)12)1-9-2-10-4;1-4(2,3)5;;;;1-4-5(2)3/h3-7,12H,1-2H2,(H,20,22)(H,21,23);3-7,12H,1-2H2;3-5H,1-2,10H2,(H,11,12);1-2,5H,(H,11,12);5H,1-3H3;;;;1H/q;;;;;;;+1;/p-1
InChIKeyUUXVWLIKYQSRFM-UHFFFAOYSA-M
XLogP5.42
TPSA342.96 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms82
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001305.59
LogP ≤ 55.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 161200630) is potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium is CC(C)(C)O.FC(F)c1ncncc1-c1nc2ccc(Cl)nc2n1C1CC1.Nc1ccc(Cl)nc1NC1CC1.O=C(Nc1ccc(Cl)nc1NC1CC1)c1cncnc1C(F)F.O=C(O)c1cncnc1C(F)F.O=[P+]([O-])O[O-].[K+].[K][K].
What is the InChIKey of potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is UUXVWLIKYQSRFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClF2N5O.C14H10ClF2N5.C8H10ClN3.C6H4F2N2O2.C4H10O.3K.HO4P/c15-10-4-3-9(13(22-10)20-7-1-2-7)21-14(23)8-5-18-6-19-11(8)12(16)17;15-10-4-3-9-14(21-10)22(7-1-2-7)13(20-9)8-5-18-6-19-11(8)12(16)17;9-7-4-3-6(10)8(12-7)11-5-1-2-5;7-5(8)4-3(6(11)12)1-9-2-10-4;1-4(2,3)5;;;;1-4-5(2)3/h3-7,12H,1-2H2,(H,20,22)(H,21,23);3-7,12H,1-2H2;3-5H,1-2,10H2,(H,11,12);1-2,5H,(H,11,12);5H,1-3H3;;;;1H/q;;;;;;;+1;/p-1.
What are the key properties of potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 1305.59 g/mol, XLogP of 5.42, 13 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-[6-chloro-2-(cyclopropylamino)-3-pyridinyl]-4-(difluoromethyl)pyrimidine-5-carboxamide;5-chloro-3-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]imidazo[4,5-b]pyridine;6-chloro-2-N-cyclopropylpyridine-2,3-diamine;4-(difluoromethyl)pyrimidine-5-carboxylic acid;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 161200630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).