[5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C22H15Cl2FN8O — CID 169379867

IUPAC[5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C22H15Cl2FN8O/c23-10-4-5-16(34-8-13-14(24)2-1-3-15(13)25)11(6-10)19-17-18(28)12(7-26)20(29)32-21(17)33-22(31-19)30-9-27/h1-6,19H,8H2,(H6,28,29,30,31,32,33)
InChIKeyWNRNZRARIKJAHW-UHFFFAOYSA-N
MW497.32 g/mol
LogP4.08
Rot. Bonds4

About [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379867) has the molecular formula C22H15Cl2FN8O and a molecular weight of 497.32 g/mol. Its IUPAC name is [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169379867
Molecular FormulaC22H15Cl2FN8O
Molecular Weight497.32 g/mol
Exact Mass496.07
IUPAC Name[5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C22H15Cl2FN8O/c23-10-4-5-16(34-8-13-14(24)2-1-3-15(13)25)11(6-10)19-17-18(28)12(7-26)20(29)32-21(17)33-22(31-19)30-9-27/h1-6,19H,8H2,(H6,28,29,30,31,32,33)
InChIKeyWNRNZRARIKJAHW-UHFFFAOYSA-N
XLogP4.08
TPSA158.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.32
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[5,7-diamino-4-(5-chloro-2-fluorophenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378591
[5,7-diamino-4-[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379846
[5,7-diamino-4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380228
[5,7-diamino-4-(2-chloro-4-fluorophenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378544
[5,7-diamino-4-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379860
[5,7-diamino-4-[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380644
[5,7-diamino-6-cyano-4-[2-ethoxy-5-(trifluoromethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380895
[5,7-diamino-4-[2-[(4-bromophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379851
[5,7-diamino-6-cyano-4-[2-(2-fluorophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379386
[5,7-diamino-4-[3-[(2-chlorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379634
[5,7-diamino-6-cyano-4-(2-fluoro-4-methylsulfonylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381372
[5,7-diamino-6-cyano-4-(2,3,4,5-tetrafluorophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381314

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379867) is [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is WNRNZRARIKJAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN8O/c23-10-4-5-16(34-8-13-14(24)2-1-3-15(13)25)11(6-10)19-17-18(28)12(7-26)20(29)32-21(17)33-22(31-19)30-9-27/h1-6,19H,8H2,(H6,28,29,30,31,32,33).
What are the key properties of [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 497.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-4-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).