N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide

C19H17F2N7O2 — CID 138753048

IUPACN-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(OCF)cn3)ccc2F)Cn2nncc2C(N)=N1
InChIInChI=1S/C19H17F2N7O2/c1-19(9-28-16(8-24-27-28)17(22)26-19)13-6-11(2-4-14(13)21)25-18(29)15-5-3-12(7-23-15)30-10-20/h2-8H,9-10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1
InChIKeyIFZVTLKVMBOTCD-IBGZPJMESA-N
MW413.39 g/mol
LogP2.00
Rot. Bonds5

About N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide

N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide (PubChem CID 138753048) has the molecular formula C19H17F2N7O2 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
PubChem CID138753048
Molecular FormulaC19H17F2N7O2
Molecular Weight413.39 g/mol
Exact Mass413.14
IUPAC NameN-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(OCF)cn3)ccc2F)Cn2nncc2C(N)=N1
InChIInChI=1S/C19H17F2N7O2/c1-19(9-28-16(8-24-27-28)17(22)26-19)13-6-11(2-4-14(13)21)25-18(29)15-5-3-12(7-23-15)30-10-20/h2-8H,9-10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1
InChIKeyIFZVTLKVMBOTCD-IBGZPJMESA-N
XLogP2.00
TPSA120.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide (CID 138753048) is N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccc(OCF)cn3)ccc2F)Cn2nncc2C(N)=N1.
What is the InChIKey of N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide?
The InChIKey is IFZVTLKVMBOTCD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F2N7O2/c1-19(9-28-16(8-24-27-28)17(22)26-19)13-6-11(2-4-14(13)21)25-18(29)15-5-3-12(7-23-15)30-10-20/h2-8H,9-10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1.
What are the key properties of N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide?
N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide has a molecular weight of 413.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 138753048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).