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

C23H25ClFN7O — CID 118299392

IUPAC3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(CN3CCOCC3)cc(Nc3cn(C)cn3)nc2c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C23H25ClFN7O/c1-15-19(9-16-3-4-17(24)10-20(16)25)23-28-21(27-22-13-30(2)14-26-22)11-18(32(23)29-15)12-31-5-7-33-8-6-31/h3-4,10-11,13-14H,5-9,12H2,1-2H3,(H,27,28)
InChIKeyFANOWDKFNMFGDK-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.73
Rot. Bonds6

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

3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118299392) has the molecular formula C23H25ClFN7O and a molecular weight of 469.95 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118299392
Molecular FormulaC23H25ClFN7O
Molecular Weight469.95 g/mol
Exact Mass469.18
IUPAC Name3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(CN3CCOCC3)cc(Nc3cn(C)cn3)nc2c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C23H25ClFN7O/c1-15-19(9-16-3-4-17(24)10-20(16)25)23-28-21(27-22-13-30(2)14-26-22)11-18(32(23)29-15)12-31-5-7-33-8-6-31/h3-4,10-11,13-14H,5-9,12H2,1-2H3,(H,27,28)
InChIKeyFANOWDKFNMFGDK-UHFFFAOYSA-N
XLogP3.73
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 118299392) is 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is Cc1nn2c(CN3CCOCC3)cc(Nc3cn(C)cn3)nc2c1Cc1ccc(Cl)cc1F.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is FANOWDKFNMFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN7O/c1-15-19(9-16-3-4-17(24)10-20(16)25)23-28-21(27-22-13-30(2)14-26-22)11-18(32(23)29-15)12-31-5-7-33-8-6-31/h3-4,10-11,13-14H,5-9,12H2,1-2H3,(H,27,28).
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 469.95 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118299392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).