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

C25H27FN6O — CID 5275713

IUPACN-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(N4CCOCC4)cccc23)n1
InChIInChI=1S/C25H27FN6O/c1-2-3-12-27-25-28-13-11-20(29-25)23-21-5-4-6-22(31-14-16-33-17-15-31)32(21)30-24(23)18-7-9-19(26)10-8-18/h4-11,13H,2-3,12,14-17H2,1H3,(H,27,28,29)
InChIKeyGOPRMCBDOSYWOP-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.65
Rot. Bonds7

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

N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 5275713) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID5275713
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC NameN-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(N4CCOCC4)cccc23)n1
InChIInChI=1S/C25H27FN6O/c1-2-3-12-27-25-28-13-11-20(29-25)23-21-5-4-6-22(31-14-16-33-17-15-31)32(21)30-24(23)18-7-9-19(26)10-8-18/h4-11,13H,2-3,12,14-17H2,1H3,(H,27,28,29)
InChIKeyGOPRMCBDOSYWOP-UHFFFAOYSA-N
XLogP4.65
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (CID 5275713) is N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(N4CCOCC4)cccc23)n1.
What is the InChIKey of N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is GOPRMCBDOSYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-2-3-12-27-25-28-13-11-20(29-25)23-21-5-4-6-22(31-14-16-33-17-15-31)32(21)30-24(23)18-7-9-19(26)10-8-18/h4-11,13H,2-3,12,14-17H2,1H3,(H,27,28,29).
What are the key properties of N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 446.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 5275713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).