5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine

C46H56F2N16O5 — CID 172965552

IUPAC5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1cc(Nc2ccc(/C=N\Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(N(C)C)c1.COc1cc(Nc2ccc(C=O)nc2)cc(N(C)C)c1.NNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C23H27FN8O2.C15H17N3O2.C8H12FN5O/c1-31(2)19-10-18(11-20(12-19)33-3)28-17-5-4-16(25-13-17)14-27-30-23-26-15-21(24)22(29-23)32-6-8-34-9-7-32;1-18(2)14-6-13(7-15(8-14)20-3)17-11-4-5-12(10-19)16-9-11;9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h4-5,10-15,28H,6-9H2,1-3H3,(H,26,29,30);4-10,17H,1-3H3;5H,1-4,10H2,(H,11,12,13)/b27-14-;;
InChIKeyZBWORDZVXZIXIW-HAGSHMGVSA-N
MW951.06 g/mol
LogP5.56
Rot. Bonds15

About 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine

5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 172965552) has the molecular formula C46H56F2N16O5 and a molecular weight of 951.06 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID172965552
Molecular FormulaC46H56F2N16O5
Molecular Weight951.06 g/mol
Exact Mass950.46
IUPAC Name5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1cc(Nc2ccc(/C=N\Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(N(C)C)c1.COc1cc(Nc2ccc(C=O)nc2)cc(N(C)C)c1.NNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C23H27FN8O2.C15H17N3O2.C8H12FN5O/c1-31(2)19-10-18(11-20(12-19)33-3)28-17-5-4-16(25-13-17)14-27-30-23-26-15-21(24)22(29-23)32-6-8-34-9-7-32;1-18(2)14-6-13(7-15(8-14)20-3)17-11-4-5-12(10-19)16-9-11;9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h4-5,10-15,28H,6-9H2,1-3H3,(H,26,29,30);4-10,17H,1-3H3;5H,1-4,10H2,(H,11,12,13)/b27-14-;;
InChIKeyZBWORDZVXZIXIW-HAGSHMGVSA-N
XLogP5.56
TPSA230.79 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.06
LogP ≤ 55.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine with MolForge

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Related Compounds

ethanol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;methane;5-(4-morpholin-4-ylanilino)pyridine-2-carbaldehyde
CID 172973497
5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine
CID 172959526
3-N-(3-chloro-5-methylphenyl)-1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]benzene-1,3-diamine
CID 143430933
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58877256
N-[(E)-[5-(2-chloro-6-methyl-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876898
5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 91000313
3-[[3-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
CID 70951263
N-[(E)-[5-[3-[(3-chlorophenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 172933018
5-fluoro-N-[(E)-[5-(3-methyl-5-pyridazin-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 58877214
N-[(E)-[5-(3-chloro-5-ethylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-methylbenzene-1,3-diol
CID 143471107
3-[[4-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]methyl]phenol
CID 70951265
N-[(Z)-[5-(3-chloro-5-piperidin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 91000311

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine (CID 172965552) is 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine is COc1cc(Nc2ccc(/C=N\Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(N(C)C)c1.COc1cc(Nc2ccc(C=O)nc2)cc(N(C)C)c1.NNc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is ZBWORDZVXZIXIW-HAGSHMGVSA-N. The full InChI is InChI=1S/C23H27FN8O2.C15H17N3O2.C8H12FN5O/c1-31(2)19-10-18(11-20(12-19)33-3)28-17-5-4-16(25-13-17)14-27-30-23-26-15-21(24)22(29-23)32-6-8-34-9-7-32;1-18(2)14-6-13(7-15(8-14)20-3)17-11-4-5-12(10-19)16-9-11;9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h4-5,10-15,28H,6-9H2,1-3H3,(H,26,29,30);4-10,17H,1-3H3;5H,1-4,10H2,(H,11,12,13)/b27-14-;;.
What are the key properties of 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine?
5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 951.06 g/mol, XLogP of 5.56, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-5-methoxyanilino]pyridine-2-carbaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine;1-N-[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]-5-methoxy-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 172965552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).