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

C23H25F2N7O — CID 118295417

IUPAC3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1C(C)c1ccc(F)cc1F
InChIInChI=1S/C23H25F2N7O/c1-14(17-5-4-16(24)10-18(17)25)22-15(2)29-32-21(31-6-8-33-9-7-31)11-19(28-23(22)32)27-20-12-30(3)13-26-20/h4-5,10-14H,6-9H2,1-3H3,(H,27,28)
InChIKeyCAIGIAYLBCDPRP-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.78
Rot. Bonds5

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

3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118295417) has the molecular formula C23H25F2N7O and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118295417
Molecular FormulaC23H25F2N7O
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1C(C)c1ccc(F)cc1F
InChIInChI=1S/C23H25F2N7O/c1-14(17-5-4-16(24)10-18(17)25)22-15(2)29-32-21(31-6-8-33-9-7-31)11-19(28-23(22)32)27-20-12-30(3)13-26-20/h4-5,10-14H,6-9H2,1-3H3,(H,27,28)
InChIKeyCAIGIAYLBCDPRP-UHFFFAOYSA-N
XLogP3.78
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 118295417) is 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1C(C)c1ccc(F)cc1F.
What is the InChIKey of 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CAIGIAYLBCDPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O/c1-14(17-5-4-16(24)10-18(17)25)22-15(2)29-32-21(31-6-8-33-9-7-31)11-19(28-23(22)32)27-20-12-30(3)13-26-20/h4-5,10-14H,6-9H2,1-3H3,(H,27,28).
What are the key properties of 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 453.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118295417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).