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

C23H21ClFN9O — CID 91534544

IUPACN-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(-c4cn[nH]c4)c(Cl)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H21ClFN9O/c24-20-9-16(3-4-19(20)15-10-28-29-11-15)31-18-2-1-17(26-12-18)13-30-33-23-27-14-21(25)22(32-23)34-5-7-35-8-6-34/h1-4,9-12,14,31H,5-8,13H2,(H,28,29)/b33-30+
InChIKeyUNDHBRBZZKLHAJ-KKYHWDRJSA-N
MW493.93 g/mol
LogP4.92
Rot. Bonds7

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

N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (PubChem CID 91534544) has the molecular formula C23H21ClFN9O and a molecular weight of 493.93 g/mol. Its IUPAC name is N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
PubChem CID91534544
Molecular FormulaC23H21ClFN9O
Molecular Weight493.93 g/mol
Exact Mass493.15
IUPAC NameN-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(-c4cn[nH]c4)c(Cl)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H21ClFN9O/c24-20-9-16(3-4-19(20)15-10-28-29-11-15)31-18-2-1-17(26-12-18)13-30-33-23-27-14-21(25)22(32-23)34-5-7-35-8-6-34/h1-4,9-12,14,31H,5-8,13H2,(H,28,29)/b33-30+
InChIKeyUNDHBRBZZKLHAJ-KKYHWDRJSA-N
XLogP4.92
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 54.92
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'}

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Related Compounds

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
N4-(3-chloro-1H-indazol-4-yl)-N2-(3,5-dimorpholinophenyl)pyrimidine-2,4-diamine
CID 52945780
CID 118869552
CID 118869552
1-(3-chloro-4-methylphenyl)-N-[3-(morpholin-4-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16033977
{4-[3-(4-Fluoro-phenyl)-1H-pyrazol-4-yl]-pyrimidin-2-yl}-(5-piperazin-1-yl-pyridin-2-yl)-amine
CID 49840108
{4-[5-Chloro-3-isopropyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazol-4-yl]-pyrimidin-2-yl}-[5-(4-methyl-piperazin-1-yl)-pyridin-2-yl]-amine
CID 49840176
2-(4-{6-[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-ylamino]-pyridin-3-yl}-piperazin-1-yl)-ethanol
CID 49840177
[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-[5-((S)-3-methyl-piperazin-1-yl)-pyridin-2-yl]-amine
CID 49840235
[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-[5-((R)-3-methyl-piperazin-1-yl)-pyridin-2-yl]-amine
CID 49840236

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The IUPAC name of N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (CID 91534544) is N-[3-chloro-4-(1H-pyrazol-4-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-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is Fc1cnc(/N=N/Cc2ccc(Nc3ccc(-c4cn[nH]c4)c(Cl)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The InChIKey is UNDHBRBZZKLHAJ-KKYHWDRJSA-N. The full InChI is InChI=1S/C23H21ClFN9O/c24-20-9-16(3-4-19(20)15-10-28-29-11-15)31-18-2-1-17(26-12-18)13-30-33-23-27-14-21(25)22(32-23)34-5-7-35-8-6-34/h1-4,9-12,14,31H,5-8,13H2,(H,28,29)/b33-30+.
What are the key properties of N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine has a molecular weight of 493.93 g/mol, XLogP of 4.92, 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-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 91534544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).