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

C20H19N9 — CID 169380359

IUPAC[5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC(C)n1ccc2ccc(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)cc21
InChIInChI=1S/C20H19N9/c1-10(2)29-6-5-11-3-4-12(7-14(11)29)17-15-16(23)13(8-21)18(24)27-19(15)28-20(26-17)25-9-22/h3-7,10,17H,1-2H3,(H6,23,24,25,26,27,28)
InChIKeyHINOXPUDGYGXOE-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.59
Rot. Bonds2

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

[5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380359) has the molecular formula C20H19N9 and a molecular weight of 385.44 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169380359
Molecular FormulaC20H19N9
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name[5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC(C)n1ccc2ccc(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)cc21
InChIInChI=1S/C20H19N9/c1-10(2)29-6-5-11-3-4-12(7-14(11)29)17-15-16(23)13(8-21)18(24)27-19(15)28-20(26-17)25-9-22/h3-7,10,17H,1-2H3,(H6,23,24,25,26,27,28)
InChIKeyHINOXPUDGYGXOE-UHFFFAOYSA-N
XLogP2.59
TPSA153.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.59
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-6-cyano-4-(3,4-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378500
[5,7-diamino-6-cyano-4-(4-ethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378464
[5,7-diamino-6-cyano-4-[4-(dimethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378474
[5,7-diamino-6-cyano-4-(1-ethyl-2,3-dihydroindol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379592
[5,7-diamino-6-cyano-4-(3-cyclopropylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379616
[5,7-diamino-6-cyano-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378542
[5,7-diamino-6-cyano-4-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379174
[5,7-diamino-6-cyano-4-(3-cyano-4-methylsulfonylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381263
[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378706
[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-[4-(diethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378498
[5,7-diamino-6-cyano-4-(3-cyano-4-nitrophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380800

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380359) is [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CC(C)n1ccc2ccc(C3N=C(NC#N)Nc4nc(N)c(C#N)c(N)c43)cc21.
What is the InChIKey of [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is HINOXPUDGYGXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9/c1-10(2)29-6-5-11-3-4-12(7-14(11)29)17-15-16(23)13(8-21)18(24)27-19(15)28-20(26-17)25-9-22/h3-7,10,17H,1-2H3,(H6,23,24,25,26,27,28).
What are the key properties of [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 385.44 g/mol, XLogP of 2.59, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-6-cyano-4-(1-propan-2-ylindol-6-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).