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

C23H21ClFN9O — CID 91312010

IUPACN-[3-chloro-4-(1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H21ClFN9O/c24-19-11-15(3-4-18(19)21-5-6-28-32-21)30-17-2-1-16(26-12-17)13-29-33-23-27-14-20(25)22(31-23)34-7-9-35-10-8-34/h1-6,11-12,14,30H,7-10,13H2,(H,28,32)/b33-29+
InChIKeyTZZAFZYZKFVCPO-XPXRSFDGSA-N
MW493.93 g/mol
LogP4.92
Rot. Bonds7

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

N-[3-chloro-4-(1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (PubChem CID 91312010) has the molecular formula C23H21ClFN9O and a molecular weight of 493.93 g/mol. Its IUPAC name is N-[3-chloro-4-(1H-pyrazol-5-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-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
PubChem CID91312010
Molecular FormulaC23H21ClFN9O
Molecular Weight493.93 g/mol
Exact Mass493.15
IUPAC NameN-[3-chloro-4-(1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H21ClFN9O/c24-19-11-15(3-4-18(19)21-5-6-28-32-21)30-17-2-1-16(26-12-17)13-29-33-23-27-14-20(25)22(31-23)34-7-9-35-10-8-34/h1-6,11-12,14,30H,7-10,13H2,(H,28,32)/b33-29+
InChIKeyTZZAFZYZKFVCPO-XPXRSFDGSA-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

1-[3-chloro-5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]phenyl]ethanone
CID 91387785
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine
CID 91441124
N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
CID 91502034
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 91181473
3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol
CID 123294971
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridin-3-amine
CID 91336150
3-[3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-methylphenyl]phenol
CID 91124593
3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol
CID 91090424
3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline
CID 91250267
2-chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol
CID 91515693
3-[4-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-methylanilino]phenyl]phenol
CID 91374655
3-[4-[[6-[[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]diazenyl]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 91580341

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1H-pyrazol-5-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-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (CID 91312010) is N-[3-chloro-4-(1H-pyrazol-5-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-5-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-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is Fc1cnc(/N=N/Cc2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[3-chloro-4-(1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The InChIKey is TZZAFZYZKFVCPO-XPXRSFDGSA-N. The full InChI is InChI=1S/C23H21ClFN9O/c24-19-11-15(3-4-18(19)21-5-6-28-32-21)30-17-2-1-16(26-12-17)13-29-33-23-27-14-20(25)22(31-23)34-7-9-35-10-8-34/h1-6,11-12,14,30H,7-10,13H2,(H,28,32)/b33-29+.
What are the key properties of N-[3-chloro-4-(1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
N-[3-chloro-4-(1H-pyrazol-5-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-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 91312010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).