N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine

C24H23ClFN9O — CID 91071513

IUPACN-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cc(-c2ccc(Nc3ccc(C/N=N/c4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)n[nH]1
InChIInChI=1S/C24H23ClFN9O/c1-15-10-22(33-32-15)19-5-4-16(11-20(19)25)30-18-3-2-17(27-12-18)13-29-34-24-28-14-21(26)23(31-24)35-6-8-36-9-7-35/h2-5,10-12,14,30H,6-9,13H2,1H3,(H,32,33)/b34-29+
InChIKeyHLLFORNOPIOOFK-RIHQVDFKSA-N
MW507.96 g/mol
LogP5.23
Rot. Bonds7

About N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine

N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (PubChem CID 91071513) has the molecular formula C24H23ClFN9O and a molecular weight of 507.96 g/mol. Its IUPAC name is N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
PubChem CID91071513
Molecular FormulaC24H23ClFN9O
Molecular Weight507.96 g/mol
Exact Mass507.17
IUPAC NameN-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cc(-c2ccc(Nc3ccc(C/N=N/c4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)n[nH]1
InChIInChI=1S/C24H23ClFN9O/c1-15-10-22(33-32-15)19-5-4-16(11-20(19)25)30-18-3-2-17(27-12-18)13-29-34-24-28-14-21(26)23(31-24)35-6-8-36-9-7-35/h2-5,10-12,14,30H,6-9,13H2,1H3,(H,32,33)/b34-29+
InChIKeyHLLFORNOPIOOFK-RIHQVDFKSA-N
XLogP5.23
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.96
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine with MolForge

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Related Compounds

Gandotinib
CID 46213929
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine
CID 49800100
Tinengotinib
CID 137279257
4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10141356
5-chloro-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25104503
N4-(3-chloro-1H-indazol-4-yl)-N2-(3,5-dimorpholinophenyl)pyrimidine-2,4-diamine
CID 52945780
CID 118869552
CID 118869552
6-chloro-2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidin-4-amine
CID 136126922
US11111247, Example 2
CID 146449024
US20240018122, Example 167
CID 171034415
1-(3-chloro-4-methylphenyl)-N-[3-(morpholin-4-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16033977

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The IUPAC name of N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (CID 91071513) is N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is Cc1cc(-c2ccc(Nc3ccc(C/N=N/c4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)n[nH]1.
What is the InChIKey of N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The InChIKey is HLLFORNOPIOOFK-RIHQVDFKSA-N. The full InChI is InChI=1S/C24H23ClFN9O/c1-15-10-22(33-32-15)19-5-4-16(11-20(19)25)30-18-3-2-17(27-12-18)13-29-34-24-28-14-21(26)23(31-24)35-6-8-36-9-7-35/h2-5,10-12,14,30H,6-9,13H2,1H3,(H,32,33)/b34-29+.
What are the key properties of N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine has a molecular weight of 507.96 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 91071513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).