6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine

C21H22N8 — CID 129275918

IUPAC6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine
SMILESCC(C)n1cc(Nc2nc(/N=C/C3CCc4ccccc43)c3[nH]cnc3n2)cn1
InChIInChI=1S/C21H22N8/c1-13(2)29-11-16(10-25-29)26-21-27-19(18-20(28-21)24-12-23-18)22-9-15-8-7-14-5-3-4-6-17(14)15/h3-6,9-13,15H,7-8H2,1-2H3,(H2,23,24,26,27,28)/b22-9+
InChIKeyFUDHXSJYLRNUGE-LSFURLLWSA-N
MW386.46 g/mol
LogP4.31
Rot. Bonds5

About 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine

6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine (PubChem CID 129275918) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine
PubChem CID129275918
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine
SMILESCC(C)n1cc(Nc2nc(/N=C/C3CCc4ccccc43)c3[nH]cnc3n2)cn1
InChIInChI=1S/C21H22N8/c1-13(2)29-11-16(10-25-29)26-21-27-19(18-20(28-21)24-12-23-18)22-9-15-8-7-14-5-3-4-6-17(14)15/h3-6,9-13,15H,7-8H2,1-2H3,(H2,23,24,26,27,28)/b22-9+
InChIKeyFUDHXSJYLRNUGE-LSFURLLWSA-N
XLogP4.31
TPSA96.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Vactosertib
CID 54766013
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CID 155570100
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
4-(1-Methylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266791
5-Pentyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135450786
9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11702501
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-bis(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71459516
5-Hexyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135512751
N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162676302
(R)-N-(2,3-dihydro-1H-inden-1-yl)-2,3-dimethyl-6-(1H-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
CID 24889676

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine (CID 129275918) is 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine is CC(C)n1cc(Nc2nc(/N=C/C3CCc4ccccc43)c3[nH]cnc3n2)cn1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine?
The InChIKey is FUDHXSJYLRNUGE-LSFURLLWSA-N. The full InChI is InChI=1S/C21H22N8/c1-13(2)29-11-16(10-25-29)26-21-27-19(18-20(28-21)24-12-23-18)22-9-15-8-7-14-5-3-4-6-17(14)15/h3-6,9-13,15H,7-8H2,1-2H3,(H2,23,24,26,27,28)/b22-9+.
What are the key properties of 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine?
6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine is sourced from PubChem (CID 129275918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).