3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

C22H24FN7O — CID 118295427

IUPAC3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1Cc1ccccc1F
InChIInChI=1S/C22H24FN7O/c1-15-17(11-16-5-3-4-6-18(16)23)22-26-19(25-20-13-28(2)14-24-20)12-21(30(22)27-15)29-7-9-31-10-8-29/h3-6,12-14H,7-11H2,1-2H3,(H,25,26)
InChIKeyCISYWHZENVIWLD-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.08
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118295427) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118295427
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1Cc1ccccc1F
InChIInChI=1S/C22H24FN7O/c1-15-17(11-16-5-3-4-6-18(16)23)22-26-19(25-20-13-28(2)14-24-20)12-21(30(22)27-15)29-7-9-31-10-8-29/h3-6,12-14H,7-11H2,1-2H3,(H,25,26)
InChIKeyCISYWHZENVIWLD-UHFFFAOYSA-N
XLogP3.08
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 118295427) is 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CISYWHZENVIWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-15-17(11-16-5-3-4-6-18(16)23)22-26-19(25-20-13-28(2)14-24-20)12-21(30(22)27-15)29-7-9-31-10-8-29/h3-6,12-14H,7-11H2,1-2H3,(H,25,26).
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 421.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118295427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).