3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C23H26FN7O — CID 118299408

IUPAC3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c(Cc4cccc(F)c4)c3n2)n[nH]1
InChIInChI=1S/C23H26FN7O/c1-15-10-22(28-27-15)25-21-13-19(14-30-6-8-32-9-7-30)31-23(26-21)20(16(2)29-31)12-17-4-3-5-18(24)11-17/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyMSRGDEGPZFYDIC-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.37
Rot. Bonds6

About 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118299408) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118299408
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c(Cc4cccc(F)c4)c3n2)n[nH]1
InChIInChI=1S/C23H26FN7O/c1-15-10-22(28-27-15)25-21-13-19(14-30-6-8-32-9-7-30)31-23(26-21)20(16(2)29-31)12-17-4-3-5-18(24)11-17/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyMSRGDEGPZFYDIC-UHFFFAOYSA-N
XLogP3.37
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 118299408) is 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is Cc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c(Cc4cccc(F)c4)c3n2)n[nH]1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is MSRGDEGPZFYDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-15-10-22(28-27-15)25-21-13-19(14-30-6-8-32-9-7-30)31-23(26-21)20(16(2)29-31)12-17-4-3-5-18(24)11-17/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 435.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118299408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).