[5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C20H18N10 — CID 169379928

IUPAC[5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCc1cc(C)c(-n2cccn2)c(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1
InChIInChI=1S/C20H18N10/c1-10-6-11(2)17(30-5-3-4-26-30)12(7-10)16-14-15(23)13(8-21)18(24)28-19(14)29-20(27-16)25-9-22/h3-7,16H,1-2H3,(H6,23,24,25,27,28,29)
InChIKeyGJPWWJKPECEJJR-UHFFFAOYSA-N
MW398.43 g/mol
LogP1.86
Rot. Bonds2

About [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379928) has the molecular formula C20H18N10 and a molecular weight of 398.43 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169379928
Molecular FormulaC20H18N10
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC Name[5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCc1cc(C)c(-n2cccn2)c(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1
InChIInChI=1S/C20H18N10/c1-10-6-11(2)17(30-5-3-4-26-30)12(7-10)16-14-15(23)13(8-21)18(24)28-19(14)29-20(27-16)25-9-22/h3-7,16H,1-2H3,(H6,23,24,25,27,28,29)
InChIKeyGJPWWJKPECEJJR-UHFFFAOYSA-N
XLogP1.86
TPSA166.75 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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-6-cyano-4-(2,5-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378775
5-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]-2,4-dimethylbenzoic acid
CID 169380102
[5,7-diamino-6-cyano-4-(3,4-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378500
[5,7-diamino-6-cyano-4-(2,3,4,5,6-pentamethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379326
[5,7-diamino-6-cyano-4-(2,3,4,5-tetrafluorophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381314
[5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378899
[5,7-diamino-6-cyano-4-(4-ethoxy-2,6-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379024
[5,7-diamino-6-cyano-4-[2-[(dimethylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380365
[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-6-cyano-4-[4-(dimethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378474
[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-6-cyano-4-[2-(2-fluorophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379386

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379928) is [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is Cc1cc(C)c(-n2cccn2)c(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1.
What is the InChIKey of [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is GJPWWJKPECEJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N10/c1-10-6-11(2)17(30-5-3-4-26-30)12(7-10)16-14-15(23)13(8-21)18(24)28-19(14)29-20(27-16)25-9-22/h3-7,16H,1-2H3,(H6,23,24,25,27,28,29).
What are the key properties of [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 398.43 g/mol, XLogP of 1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-6-cyano-4-(3,5-dimethyl-2-pyrazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).