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

C25H24FN9O2 — CID 58876851

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide
SMILESCc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1ccnnc1
InChIInChI=1S/C25H24FN9O2/c1-16-12-18(2-4-20(16)17-6-7-29-30-13-17)31-19-3-5-22(27-14-19)24(36)33-34-25-28-15-21(26)23(32-25)35-8-10-37-11-9-35/h2-7,12-15,31H,8-11H2,1H3,(H,33,36)(H,28,32,34)
InChIKeyONXOKYXLXUOIOK-UHFFFAOYSA-N
MW501.53 g/mol
LogP3.11
Rot. Bonds7

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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide (PubChem CID 58876851) has the molecular formula C25H24FN9O2 and a molecular weight of 501.53 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide
PubChem CID58876851
Molecular FormulaC25H24FN9O2
Molecular Weight501.53 g/mol
Exact Mass501.20
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide
SMILESCc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1ccnnc1
InChIInChI=1S/C25H24FN9O2/c1-16-12-18(2-4-20(16)17-6-7-29-30-13-17)31-19-3-5-22(27-14-19)24(36)33-34-25-28-15-21(26)23(32-25)35-8-10-37-11-9-35/h2-7,12-15,31H,8-11H2,1H3,(H,33,36)(H,28,32,34)
InChIKeyONXOKYXLXUOIOK-UHFFFAOYSA-N
XLogP3.11
TPSA130.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 53.11
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

4-[[3-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 155531582
4-[[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 155555707
5-(dimethylamino)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-3-carboxamide
CID 86295251
N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456083
US10245267, Example 1126
CID 90456376
N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90456906
2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide
CID 90462847
2-(1,1-difluoroethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide
CID 90463386
N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 117609948
N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-ylpyridin-4-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118887118
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-5-[(4-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]pyridine-2-carboxamide
CID 76285529
N-[4-[[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)phenyl]-2-(oxan-4-ylamino)pyrimidine-4-carboxamide
CID 163215594

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide (CID 58876851) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide is Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1ccnnc1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
The InChIKey is ONXOKYXLXUOIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN9O2/c1-16-12-18(2-4-20(16)17-6-7-29-30-13-17)31-19-3-5-22(27-14-19)24(36)33-34-25-28-15-21(26)23(32-25)35-8-10-37-11-9-35/h2-7,12-15,31H,8-11H2,1H3,(H,33,36)(H,28,32,34).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide has a molecular weight of 501.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyridazin-4-ylanilino)pyridine-2-carbohydrazide is sourced from PubChem (CID 58876851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).