2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C26H32N8 — CID 70354562

IUPAC2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC[C@@H]3C[C@@H](C)CN3)nc12
InChIInChI=1S/C26H32N8/c1-17(2)22-16-31-34-24(22)32-25(29-15-21-12-18(3)13-28-21)33-26(34)30-14-19-7-9-20(10-8-19)23-6-4-5-11-27-23/h4-11,16-18,21,28H,12-15H2,1-3H3,(H2,29,30,32,33)/t18-,21+/m1/s1
InChIKeyFPXUODKNMYSFIV-NQIIRXRSSA-N
MW456.60 g/mol
LogP4.33
Rot. Bonds8

About 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 70354562) has the molecular formula C26H32N8 and a molecular weight of 456.60 g/mol. Its IUPAC name is 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID70354562
Molecular FormulaC26H32N8
Molecular Weight456.60 g/mol
Exact Mass456.27
IUPAC Name2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC[C@@H]3C[C@@H](C)CN3)nc12
InChIInChI=1S/C26H32N8/c1-17(2)22-16-31-34-24(22)32-25(29-15-21-12-18(3)13-28-21)33-26(34)30-14-19-7-9-20(10-8-19)23-6-4-5-11-27-23/h4-11,16-18,21,28H,12-15H2,1-3H3,(H2,29,30,32,33)/t18-,21+/m1/s1
InChIKeyFPXUODKNMYSFIV-NQIIRXRSSA-N
XLogP4.33
TPSA92.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.60
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 70354562) is 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC[C@@H]3C[C@@H](C)CN3)nc12.
What is the InChIKey of 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is FPXUODKNMYSFIV-NQIIRXRSSA-N. The full InChI is InChI=1S/C26H32N8/c1-17(2)22-16-31-34-24(22)32-25(29-15-21-12-18(3)13-28-21)33-26(34)30-14-19-7-9-20(10-8-19)23-6-4-5-11-27-23/h4-11,16-18,21,28H,12-15H2,1-3H3,(H2,29,30,32,33)/t18-,21+/m1/s1.
What are the key properties of 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 456.60 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[(2S,4R)-4-methylpyrrolidin-2-yl]methyl]-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 70354562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).