2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide

C19H20BrF2N5O2 — CID 58783704

IUPAC2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C19H20BrF2N5O2/c1-19(2,23)18(28)24-15(10-29-9-11-3-5-13(21)7-14(11)22)17-26-25-16-6-4-12(20)8-27(16)17/h3-8,15H,9-10,23H2,1-2H3,(H,24,28)/t15-/m1/s1
InChIKeyWXWGMVSTUUZDKS-OAHLLOKOSA-N
MW468.30 g/mol
LogP2.88
Rot. Bonds7

About 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide

2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide (PubChem CID 58783704) has the molecular formula C19H20BrF2N5O2 and a molecular weight of 468.30 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide
PubChem CID58783704
Molecular FormulaC19H20BrF2N5O2
Molecular Weight468.30 g/mol
Exact Mass467.08
IUPAC Name2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C19H20BrF2N5O2/c1-19(2,23)18(28)24-15(10-29-9-11-3-5-13(21)7-14(11)22)17-26-25-16-6-4-12(20)8-27(16)17/h3-8,15H,9-10,23H2,1-2H3,(H,24,28)/t15-/m1/s1
InChIKeyWXWGMVSTUUZDKS-OAHLLOKOSA-N
XLogP2.88
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide (CID 58783704) is 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)c1nnc2ccc(Br)cn12.
What is the InChIKey of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
The InChIKey is WXWGMVSTUUZDKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20BrF2N5O2/c1-19(2,23)18(28)24-15(10-29-9-11-3-5-13(21)7-14(11)22)17-26-25-16-6-4-12(20)8-27(16)17/h3-8,15H,9-10,23H2,1-2H3,(H,24,28)/t15-/m1/s1.
What are the key properties of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide has a molecular weight of 468.30 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,4-difluorophenyl)methoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 58783704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).