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

C24H21ClFN9O2 — CID 58876942

IUPAC5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)c(Cl)c2)cn1
InChIInChI=1S/C24H21ClFN9O2/c25-18-12-15(2-4-17(18)21-27-6-1-7-28-21)31-16-3-5-20(29-13-16)23(36)33-34-24-30-14-19(26)22(32-24)35-8-10-37-11-9-35/h1-7,12-14,31H,8-11H2,(H,33,36)(H,30,32,34)
InChIKeyCPZGTNJSWAVYAJ-UHFFFAOYSA-N
MW521.94 g/mol
LogP3.46
Rot. Bonds7

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

5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 58876942) has the molecular formula C24H21ClFN9O2 and a molecular weight of 521.94 g/mol. Its IUPAC name is 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
PubChem CID58876942
Molecular FormulaC24H21ClFN9O2
Molecular Weight521.94 g/mol
Exact Mass521.15
IUPAC Name5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)c(Cl)c2)cn1
InChIInChI=1S/C24H21ClFN9O2/c25-18-12-15(2-4-17(18)21-27-6-1-7-28-21)31-16-3-5-20(29-13-16)23(36)33-34-24-30-14-19(26)22(32-24)35-8-10-37-11-9-35/h1-7,12-14,31H,8-11H2,(H,33,36)(H,30,32,34)
InChIKeyCPZGTNJSWAVYAJ-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

N-[(E)-[5-[3-chloro-4-(4-methylpiperazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 16739449
[4-[[4-(3-Chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 21830611
5-(2-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945882
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-ethyl-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]benzamide
CID 58876719
N'-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876731
5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58876735
N-[(E)-[5-(3-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876737
N'-[5-fluoro-4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876746
N-ethyl-4-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]-3-pyridinyl]amino]benzamide
CID 58876752
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876766

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 58876942) is 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The InChIKey is CPZGTNJSWAVYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN9O2/c25-18-12-15(2-4-17(18)21-27-6-1-7-28-21)31-16-3-5-20(29-13-16)23(36)33-34-24-30-14-19(26)22(32-24)35-8-10-37-11-9-35/h1-7,12-14,31H,8-11H2,(H,33,36)(H,30,32,34).
What are the key properties of 5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
5-(3-chloro-4-pyrimidin-2-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-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).