N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine

C23H20FN7 — CID 170075064

IUPACN-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine
SMILESCc1cccc(-n2nc(NC(C)c3ccc(F)cc3)cc2-c2ccn3ncnc3c2)n1
InChIInChI=1S/C23H20FN7/c1-15-4-3-5-22(27-15)31-20(18-10-11-30-23(12-18)25-14-26-30)13-21(29-31)28-16(2)17-6-8-19(24)9-7-17/h3-14,16H,1-2H3,(H,28,29)
InChIKeyMMUJYSKODIECOC-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.60
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine

N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine (PubChem CID 170075064) has the molecular formula C23H20FN7 and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine
PubChem CID170075064
Molecular FormulaC23H20FN7
Molecular Weight413.46 g/mol
Exact Mass413.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine
SMILESCc1cccc(-n2nc(NC(C)c3ccc(F)cc3)cc2-c2ccn3ncnc3c2)n1
InChIInChI=1S/C23H20FN7/c1-15-4-3-5-22(27-15)31-20(18-10-11-30-23(12-18)25-14-26-30)13-21(29-31)28-16(2)17-6-8-19(24)9-7-17/h3-14,16H,1-2H3,(H,28,29)
InChIKeyMMUJYSKODIECOC-UHFFFAOYSA-N
XLogP4.60
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine (CID 170075064) is N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine is Cc1cccc(-n2nc(NC(C)c3ccc(F)cc3)cc2-c2ccn3ncnc3c2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine?
The InChIKey is MMUJYSKODIECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7/c1-15-4-3-5-22(27-15)31-20(18-10-11-30-23(12-18)25-14-26-30)13-21(29-31)28-16(2)17-6-8-19(24)9-7-17/h3-14,16H,1-2H3,(H,28,29).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine?
N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine has a molecular weight of 413.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-3-amine is sourced from PubChem (CID 170075064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).