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

C24H27ClFN9O — CID 90831509

IUPACN-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc(Cl)c1C1CNNC1
InChIInChI=1S/C24H27ClFN9O/c1-15-8-19(9-20(25)22(15)16-10-29-30-11-16)32-18-3-2-17(27-12-18)13-31-34-24-28-14-21(26)23(33-24)35-4-6-36-7-5-35/h2-3,8-9,12,14,16,29-30,32H,4-7,10-11,13H2,1H3/b34-31+
InChIKeyYYQOHVDZTNCGOD-WUVHBKSUSA-N
MW511.99 g/mol
LogP4.03
Rot. Bonds7

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

N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (PubChem CID 90831509) has the molecular formula C24H27ClFN9O and a molecular weight of 511.99 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
PubChem CID90831509
Molecular FormulaC24H27ClFN9O
Molecular Weight511.99 g/mol
Exact Mass511.20
IUPAC NameN-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc(Cl)c1C1CNNC1
InChIInChI=1S/C24H27ClFN9O/c1-15-8-19(9-20(25)22(15)16-10-29-30-11-16)32-18-3-2-17(27-12-18)13-31-34-24-28-14-21(26)23(33-24)35-4-6-36-7-5-35/h2-3,8-9,12,14,16,29-30,32H,4-7,10-11,13H2,1H3/b34-31+
InChIKeyYYQOHVDZTNCGOD-WUVHBKSUSA-N
XLogP4.03
TPSA111.95 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.99
LogP ≤ 54.03
H-Bond Donors ≤ 53
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-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine with MolForge

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Related Compounds

4-[6-[5-(2-chloro-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 134823039
N-[(E)-[5-[3-chloro-4-(4-methylpiperazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 16739449
N-[(E)-[5-(2-chloro-6-methyl-4-piperazin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 16739488
4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine
CID 20779088
5-chloro-2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44621311
2-[4-[6-(3-Chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine
CID 57761045
N-[(E)-[5-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 57945879
4-N-(3-chloro-5-methylphenyl)-1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]benzene-1,4-diamine
CID 57945978
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58255068
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazolidin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876703
N-[(E)-[5-(3-chloro-5-methyl-4-pyrazolidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876704
N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876715

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The IUPAC name of N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (CID 90831509) is N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is Cc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc(Cl)c1C1CNNC1.
What is the InChIKey of N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The InChIKey is YYQOHVDZTNCGOD-WUVHBKSUSA-N. The full InChI is InChI=1S/C24H27ClFN9O/c1-15-8-19(9-20(25)22(15)16-10-29-30-11-16)32-18-3-2-17(27-12-18)13-31-34-24-28-14-21(26)23(33-24)35-4-6-36-7-5-35/h2-3,8-9,12,14,16,29-30,32H,4-7,10-11,13H2,1H3/b34-31+.
What are the key properties of N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine has a molecular weight of 511.99 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methyl-4-pyrazolidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 90831509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).