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

C27H32FN7O — CID 5275695

IUPACN-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCCCCNc1cccc2c(-c3ccnc(NCCN4CCOCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C27H32FN7O/c1-2-3-12-29-24-6-4-5-23-25(26(33-35(23)24)20-7-9-21(28)10-8-20)22-11-13-30-27(32-22)31-14-15-34-16-18-36-19-17-34/h4-11,13,29H,2-3,12,14-19H2,1H3,(H,30,31,32)
InChIKeyRYNVQBIIRPBVGV-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.55
Rot. Bonds10

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

N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 5275695) has the molecular formula C27H32FN7O and a molecular weight of 489.60 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
PubChem CID5275695
Molecular FormulaC27H32FN7O
Molecular Weight489.60 g/mol
Exact Mass489.27
IUPAC NameN-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCCCCNc1cccc2c(-c3ccnc(NCCN4CCOCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C27H32FN7O/c1-2-3-12-29-24-6-4-5-23-25(26(33-35(23)24)20-7-9-21(28)10-8-20)22-11-13-30-27(32-22)31-14-15-34-16-18-36-19-17-34/h4-11,13,29H,2-3,12,14-19H2,1H3,(H,30,31,32)
InChIKeyRYNVQBIIRPBVGV-UHFFFAOYSA-N
XLogP4.55
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (CID 5275695) is N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine is CCCCNc1cccc2c(-c3ccnc(NCCN4CCOCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is RYNVQBIIRPBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O/c1-2-3-12-29-24-6-4-5-23-25(26(33-35(23)24)20-7-9-21(28)10-8-20)22-11-13-30-27(32-22)31-14-15-34-16-18-36-19-17-34/h4-11,13,29H,2-3,12,14-19H2,1H3,(H,30,31,32).
What are the key properties of N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 489.60 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenyl)-3-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 5275695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).