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

C24H21ClFN9O2 — CID 58876767

IUPAC5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cccnn3)cc2Cl)cn1
InChIInChI=1S/C24H21ClFN9O2/c25-17-12-15(19-2-1-7-29-32-19)3-5-20(17)30-16-4-6-21(27-13-16)23(36)33-34-24-28-14-18(26)22(31-24)35-8-10-37-11-9-35/h1-7,12-14,30H,8-11H2,(H,33,36)(H,28,31,34)
InChIKeyVPCXSCZKOOBDOJ-UHFFFAOYSA-N
MW521.94 g/mol
LogP3.46
Rot. Bonds7

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

5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 58876767) has the molecular formula C24H21ClFN9O2 and a molecular weight of 521.94 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
PubChem CID58876767
Molecular FormulaC24H21ClFN9O2
Molecular Weight521.94 g/mol
Exact Mass521.15
IUPAC Name5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cccnn3)cc2Cl)cn1
InChIInChI=1S/C24H21ClFN9O2/c25-17-12-15(19-2-1-7-29-32-19)3-5-20(17)30-16-4-6-21(27-13-16)23(36)33-34-24-28-14-18(26)22(31-24)35-8-10-37-11-9-35/h1-7,12-14,30H,8-11H2,(H,33,36)(H,28,31,34)
InChIKeyVPCXSCZKOOBDOJ-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 58876767) is 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cccnn3)cc2Cl)cn1.
What is the InChIKey of 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The InChIKey is VPCXSCZKOOBDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN9O2/c25-17-12-15(19-2-1-7-29-32-19)3-5-20(17)30-16-4-6-21(27-13-16)23(36)33-34-24-28-14-18(26)22(31-24)35-8-10-37-11-9-35/h1-7,12-14,30H,8-11H2,(H,33,36)(H,28,31,34).
What are the key properties of 5-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
5-(2-chloro-4-pyridazin-3-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-(2-chloro-4-pyridazin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).