5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

C24H21ClFN9O2 — CID 58876768

IUPAC5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3ccncn3)c2)cn1
InChIInChI=1S/C24H21ClFN9O2/c25-16-9-15(20-3-4-27-14-30-20)10-18(11-16)31-17-1-2-21(28-12-17)23(36)33-34-24-29-13-19(26)22(32-24)35-5-7-37-8-6-35/h1-4,9-14,31H,5-8H2,(H,33,36)(H,29,32,34)
InChIKeyWGMDUUZMBDGYMH-UHFFFAOYSA-N
MW521.94 g/mol
LogP3.46
Rot. Bonds7

About 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 58876768) has the molecular formula C24H21ClFN9O2 and a molecular weight of 521.94 g/mol. Its IUPAC name is 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
PubChem CID58876768
Molecular FormulaC24H21ClFN9O2
Molecular Weight521.94 g/mol
Exact Mass521.15
IUPAC Name5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3ccncn3)c2)cn1
InChIInChI=1S/C24H21ClFN9O2/c25-16-9-15(20-3-4-27-14-30-20)10-18(11-16)31-17-1-2-21(28-12-17)23(36)33-34-24-29-13-19(26)22(32-24)35-5-7-37-8-6-35/h1-4,9-14,31H,5-8H2,(H,33,36)(H,29,32,34)
InChIKeyWGMDUUZMBDGYMH-UHFFFAOYSA-N
XLogP3.46
TPSA130.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.94
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[6-(3-Chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 11569564
[4-[[4-(3-Chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 21830611
N-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)imino-5-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 44176886
5-[3-(dimethylamino)-5-(trifluoromethyl)anilino]-N-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)iminopyridine-2-carboxamide
CID 44176888
5-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945881
5-(2-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945882
5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945923
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide
CID 57945995
5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58876696
N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876716
N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876720
N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876731

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 58876768) is 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3ccncn3)c2)cn1.
What is the InChIKey of 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The InChIKey is WGMDUUZMBDGYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN9O2/c25-16-9-15(20-3-4-27-14-30-20)10-18(11-16)31-17-1-2-21(28-12-17)23(36)33-34-24-29-13-19(26)22(32-24)35-5-7-37-8-6-35/h1-4,9-14,31H,5-8H2,(H,33,36)(H,29,32,34).
What are the key properties of 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide has a molecular weight of 521.94 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).