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

C27H32FN7O — CID 5275696

IUPAC3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(NCCN4CCOCC4)cccc23)n1
InChIInChI=1S/C27H32FN7O/c1-2-3-12-30-27-31-13-11-22(32-27)25-23-5-4-6-24(29-14-15-34-16-18-36-19-17-34)35(23)33-26(25)20-7-9-21(28)10-8-20/h4-11,13,29H,2-3,12,14-19H2,1H3,(H,30,31,32)
InChIKeyVVUNVHXOSPRUEP-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.55
Rot. Bonds10

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

3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 5275696) has the molecular formula C27H32FN7O and a molecular weight of 489.60 g/mol. Its IUPAC name is 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID5275696
Molecular FormulaC27H32FN7O
Molecular Weight489.60 g/mol
Exact Mass489.27
IUPAC Name3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(NCCN4CCOCC4)cccc23)n1
InChIInChI=1S/C27H32FN7O/c1-2-3-12-30-27-31-13-11-22(32-27)25-23-5-4-6-24(29-14-15-34-16-18-36-19-17-34)35(23)33-26(25)20-7-9-21(28)10-8-20/h4-11,13,29H,2-3,12,14-19H2,1H3,(H,30,31,32)
InChIKeyVVUNVHXOSPRUEP-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 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine (CID 5275696) is 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine is CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(NCCN4CCOCC4)cccc23)n1.
What is the InChIKey of 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is VVUNVHXOSPRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O/c1-2-3-12-30-27-31-13-11-22(32-27)25-23-5-4-6-24(29-14-15-34-16-18-36-19-17-34)35(23)33-26(25)20-7-9-21(28)10-8-20/h4-11,13,29H,2-3,12,14-19H2,1H3,(H,30,31,32).
What are the key properties of 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine?
3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)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 3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 5275696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).