N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine

C40H43ClFN11O2 — CID 87545294

IUPACN-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine
SMILESCN(Cc1cc(N2CCOCC2)nc(Cl)n1)C(c1cccnc1)C(c1cccnc1)N(C)Cc1cc(N2CCOCC2)nc(-c2cc(F)cc3[nH]ccc23)n1
InChIInChI=1S/C40H43ClFN11O2/c1-50(25-30-21-35(52-11-15-54-16-12-52)48-39(46-30)33-19-29(42)20-34-32(33)7-10-45-34)37(27-5-3-8-43-23-27)38(28-6-4-9-44-24-28)51(2)26-31-22-36(49-40(41)47-31)53-13-17-55-18-14-53/h3-10,19-24,37-38,45H,11-18,25-26H2,1-2H3
InChIKeyVFAKNIDPXLREOP-UHFFFAOYSA-N
MW764.31 g/mol
LogP5.72
Rot. Bonds12

About N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine

N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine (PubChem CID 87545294) has the molecular formula C40H43ClFN11O2 and a molecular weight of 764.31 g/mol. Its IUPAC name is N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine
PubChem CID87545294
Molecular FormulaC40H43ClFN11O2
Molecular Weight764.31 g/mol
Exact Mass763.33
IUPAC NameN-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine
SMILESCN(Cc1cc(N2CCOCC2)nc(Cl)n1)C(c1cccnc1)C(c1cccnc1)N(C)Cc1cc(N2CCOCC2)nc(-c2cc(F)cc3[nH]ccc23)n1
InChIInChI=1S/C40H43ClFN11O2/c1-50(25-30-21-35(52-11-15-54-16-12-52)48-39(46-30)33-19-29(42)20-34-32(33)7-10-45-34)37(27-5-3-8-43-23-27)38(28-6-4-9-44-24-28)51(2)26-31-22-36(49-40(41)47-31)53-13-17-55-18-14-53/h3-10,19-24,37-38,45H,11-18,25-26H2,1-2H3
InChIKeyVFAKNIDPXLREOP-UHFFFAOYSA-N
XLogP5.72
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.31
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine (CID 87545294) is N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine is CN(Cc1cc(N2CCOCC2)nc(Cl)n1)C(c1cccnc1)C(c1cccnc1)N(C)Cc1cc(N2CCOCC2)nc(-c2cc(F)cc3[nH]ccc23)n1.
What is the InChIKey of N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine?
The InChIKey is VFAKNIDPXLREOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43ClFN11O2/c1-50(25-30-21-35(52-11-15-54-16-12-52)48-39(46-30)33-19-29(42)20-34-32(33)7-10-45-34)37(27-5-3-8-43-23-27)38(28-6-4-9-44-24-28)51(2)26-31-22-36(49-40(41)47-31)53-13-17-55-18-14-53/h3-10,19-24,37-38,45H,11-18,25-26H2,1-2H3.
What are the key properties of N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine?
N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine has a molecular weight of 764.31 g/mol, XLogP of 5.72, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 87545294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).