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

C23H23F2N5O — CID 10159318

IUPACN-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1
InChIInChI=1S/C23H23F2N5O/c1-2-3-13-26-23-27-14-11-18(28-23)21-19-5-4-6-20(31-15-12-24)30(19)29-22(21)16-7-9-17(25)10-8-16/h4-11,14H,2-3,12-13,15H2,1H3,(H,26,27,28)
InChIKeyGFANAAWSJNBJLM-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.16
Rot. Bonds9

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

N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 10159318) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID10159318
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1
InChIInChI=1S/C23H23F2N5O/c1-2-3-13-26-23-27-14-11-18(28-23)21-19-5-4-6-20(31-15-12-24)30(19)29-22(21)16-7-9-17(25)10-8-16/h4-11,14H,2-3,12-13,15H2,1H3,(H,26,27,28)
InChIKeyGFANAAWSJNBJLM-UHFFFAOYSA-N
XLogP5.16
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Taletrectinib
CID 72202474
Mak-683
CID 121412508
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
1-(2-Ethoxy-6-(trifluoromethyl)pyridin-4-yl)-3-((5-methyl-6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)methyl)urea
CID 137377911
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
N-[(1-Methyl-1h-Pyrazol-4-Yl)methyl]-5-{[(1s,2s)-2-(Pyridin-2-Yl)cyclopropyl]methoxy}pyrazolo[1,5-A]pyrimidin-7-Amine
CID 76903477
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Sgc-clk-1
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (CID 10159318) is N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1.
What is the InChIKey of N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is GFANAAWSJNBJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-2-3-13-26-23-27-14-11-18(28-23)21-19-5-4-6-20(31-15-12-24)30(19)29-22(21)16-7-9-17(25)10-8-16/h4-11,14H,2-3,12-13,15H2,1H3,(H,26,27,28).
What are the key properties of N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 423.47 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10159318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).