2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol

C24H29N7O2 — CID 67135661

IUPAC2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC(CO)C(C)O)nc12
InChIInChI=1S/C24H29N7O2/c1-15(2)19-13-27-31-22(19)29-23(28-21(14-32)16(3)33)30-24(31)26-12-17-7-9-18(10-8-17)20-6-4-5-11-25-20/h4-11,13,15-16,21,32-33H,12,14H2,1-3H3,(H2,26,28,29,30)
InChIKeyJFJXOXADUWGSEO-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.08
Rot. Bonds9

About 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol

2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol (PubChem CID 67135661) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol.

Molecular Properties

Compound Name2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol
PubChem CID67135661
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC(CO)C(C)O)nc12
InChIInChI=1S/C24H29N7O2/c1-15(2)19-13-27-31-22(19)29-23(28-21(14-32)16(3)33)30-24(31)26-12-17-7-9-18(10-8-17)20-6-4-5-11-25-20/h4-11,13,15-16,21,32-33H,12,14H2,1-3H3,(H2,26,28,29,30)
InChIKeyJFJXOXADUWGSEO-UHFFFAOYSA-N
XLogP3.08
TPSA120.49 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol?
The IUPAC name of 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol (CID 67135661) is 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol.
What is the SMILES notation for 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol?
The canonical SMILES for 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol is CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC(CO)C(C)O)nc12.
What is the InChIKey of 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol?
The InChIKey is JFJXOXADUWGSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-15(2)19-13-27-31-22(19)29-23(28-21(14-32)16(3)33)30-24(31)26-12-17-7-9-18(10-8-17)20-6-4-5-11-25-20/h4-11,13,15-16,21,32-33H,12,14H2,1-3H3,(H2,26,28,29,30).
What are the key properties of 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol?
2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol has a molecular weight of 447.54 g/mol, XLogP of 3.08, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol is sourced from PubChem (CID 67135661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).