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

C25H29ClFN9O — CID 91502034

IUPACN-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCC1CCNN(c2cc(Cl)cc(Nc3ccc(C/N=N/c4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1
InChIInChI=1S/C25H29ClFN9O/c1-17-4-5-31-36(16-17)22-11-18(26)10-21(12-22)32-20-3-2-19(28-13-20)14-30-34-25-29-15-23(27)24(33-25)35-6-8-37-9-7-35/h2-3,10-13,15,17,31-32H,4-9,14,16H2,1H3/b34-30+
InChIKeyIXRXRZBHSDDECC-VBMGMRCRSA-N
MW526.02 g/mol
LogP4.88
Rot. Bonds7

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

N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (PubChem CID 91502034) has the molecular formula C25H29ClFN9O and a molecular weight of 526.02 g/mol. Its IUPAC name is N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
PubChem CID91502034
Molecular FormulaC25H29ClFN9O
Molecular Weight526.02 g/mol
Exact Mass525.22
IUPAC NameN-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCC1CCNN(c2cc(Cl)cc(Nc3ccc(C/N=N/c4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1
InChIInChI=1S/C25H29ClFN9O/c1-17-4-5-31-36(16-17)22-11-18(26)10-21(12-22)32-20-3-2-19(28-13-20)14-30-34-25-29-15-23(27)24(33-25)35-6-8-37-9-7-35/h2-3,10-13,15,17,31-32H,4-9,14,16H2,1H3/b34-30+
InChIKeyIXRXRZBHSDDECC-VBMGMRCRSA-N
XLogP4.88
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.02
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol
CID 91090424
1-[3-chloro-5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]phenyl]ethanone
CID 91387785
3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol
CID 123294971
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
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-[3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-methylphenyl]phenol
CID 91124593
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine
CID 91441124
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-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline
CID 91250267
3-[4-[[6-[[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]diazenyl]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 91580341
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
5-fluoro-2-[[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methyldiazenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 91535414

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The IUPAC name of 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) is N-[3-chloro-5-(5-methyldiazinan-1-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-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is CC1CCNN(c2cc(Cl)cc(Nc3ccc(C/N=N/c4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1.
What is the InChIKey of N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The InChIKey is IXRXRZBHSDDECC-VBMGMRCRSA-N. The full InChI is InChI=1S/C25H29ClFN9O/c1-17-4-5-31-36(16-17)22-11-18(26)10-21(12-22)32-20-3-2-19(28-13-20)14-30-34-25-29-15-23(27)24(33-25)35-6-8-37-9-7-35/h2-3,10-13,15,17,31-32H,4-9,14,16H2,1H3/b34-30+.
What are the key properties of N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine has a molecular weight of 526.02 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(5-methyldiazinan-1-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 91502034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).