4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium

C74H96ClF8N18O6Pd- — CID 172975353

IUPAC4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium
SMILESC/C(=N/O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.COC(=O)CC(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.COC(=O)Cl.Cc1ccn(-c2cc(C(C)N)cc(NC3CCC(F)(F)CC3)n2)n1.[CH3-].[Pd]
InChIInChI=1S/C20H26F2N4O2.C17H21F2N5O.C17H23F2N5.C17H20F2N4O.C2H3ClO2.CH3.Pd/c1-13(10-19(27)28-3)15-11-17(23-16-4-7-20(21,22)8-5-16)24-18(12-15)26-9-6-14(2)25-26;1-11-5-8-24(22-11)16-10-13(12(2)23-25)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-11-5-8-24(23-11)16-10-13(12(2)20)9-15(22-16)21-14-3-6-17(18,19)7-4-14;1-11-5-8-23(22-11)16-10-13(12(2)24)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-5-2(3)4;;/h6,9,11-13,16H,4-5,7-8,10H2,1-3H3,(H,23,24);5,8-10,14,25H,3-4,6-7H2,1-2H3,(H,20,21);5,8-10,12,14H,3-4,6-7,20H2,1-2H3,(H,21,22);5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,21);1H3;1H3;/q;;;;;-1;/b;23-12-;;;;;
InChIKeyIOLWHDZBVPYWNJ-YOULPODXSA-N
MW1627.56 g/mol
LogP16.79
Rot. Bonds18

About 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium

4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium (PubChem CID 172975353) has the molecular formula C74H96ClF8N18O6Pd- and a molecular weight of 1627.56 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium
PubChem CID172975353
Molecular FormulaC74H96ClF8N18O6Pd-
Molecular Weight1627.56 g/mol
Exact Mass1625.64
IUPAC Name4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium
SMILESC/C(=N/O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.COC(=O)CC(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.COC(=O)Cl.Cc1ccn(-c2cc(C(C)N)cc(NC3CCC(F)(F)CC3)n2)n1.[CH3-].[Pd]
InChIInChI=1S/C20H26F2N4O2.C17H21F2N5O.C17H23F2N5.C17H20F2N4O.C2H3ClO2.CH3.Pd/c1-13(10-19(27)28-3)15-11-17(23-16-4-7-20(21,22)8-5-16)24-18(12-15)26-9-6-14(2)25-26;1-11-5-8-24(22-11)16-10-13(12(2)23-25)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-11-5-8-24(23-11)16-10-13(12(2)20)9-15(22-16)21-14-3-6-17(18,19)7-4-14;1-11-5-8-23(22-11)16-10-13(12(2)24)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-5-2(3)4;;/h6,9,11-13,16H,4-5,7-8,10H2,1-3H3,(H,23,24);5,8-10,14,25H,3-4,6-7H2,1-2H3,(H,20,21);5,8-10,12,14H,3-4,6-7,20H2,1-2H3,(H,21,22);5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,21);1H3;1H3;/q;;;;;-1;/b;23-12-;;;;;
InChIKeyIOLWHDZBVPYWNJ-YOULPODXSA-N
XLogP16.79
TPSA299.24 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001627.56
LogP ≤ 516.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium with MolForge

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Related Compounds

1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanol;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethyl N,N-dimethylcarbamate;N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine;N,N-dimethylcarbamoyl chloride
CID 157135994
4-(2-aminopropan-2-yl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]-3-methylbutanoate
CID 158462729
[1-[4-(Aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]propanoate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]propanoate
CID 161862514

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium?
The IUPAC name of 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium (CID 172975353) is 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium.
What is the SMILES notation for 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium?
The canonical SMILES for 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium is C/C(=N/O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.COC(=O)CC(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1.COC(=O)Cl.Cc1ccn(-c2cc(C(C)N)cc(NC3CCC(F)(F)CC3)n2)n1.[CH3-].[Pd].
What is the InChIKey of 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium?
The InChIKey is IOLWHDZBVPYWNJ-YOULPODXSA-N. The full InChI is InChI=1S/C20H26F2N4O2.C17H21F2N5O.C17H23F2N5.C17H20F2N4O.C2H3ClO2.CH3.Pd/c1-13(10-19(27)28-3)15-11-17(23-16-4-7-20(21,22)8-5-16)24-18(12-15)26-9-6-14(2)25-26;1-11-5-8-24(22-11)16-10-13(12(2)23-25)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-11-5-8-24(23-11)16-10-13(12(2)20)9-15(22-16)21-14-3-6-17(18,19)7-4-14;1-11-5-8-23(22-11)16-10-13(12(2)24)9-15(21-16)20-14-3-6-17(18,19)7-4-14;1-5-2(3)4;;/h6,9,11-13,16H,4-5,7-8,10H2,1-3H3,(H,23,24);5,8-10,14,25H,3-4,6-7H2,1-2H3,(H,20,21);5,8-10,12,14H,3-4,6-7,20H2,1-2H3,(H,21,22);5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,21);1H3;1H3;/q;;;;;-1;/b;23-12-;;;;;.
What are the key properties of 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium?
4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium has a molecular weight of 1627.56 g/mol, XLogP of 16.79, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;carbanide;1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethanone;(NZ)-N-[1-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]ethylidene]hydroxylamine;methyl carbonochloridate;methyl 3-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)-4-pyridinyl]butanoate;palladium is sourced from PubChem (CID 172975353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).