N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

C22H17F2N7O — CID 10477973

IUPACN-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)c1ccccn1
InChIInChI=1S/C22H17F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-10,13-14H,11-12H2,(H,27,28)
InChIKeyQLPNTZLPNDVFJT-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.99
Rot. Bonds7

About N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 10477973) has the molecular formula C22H17F2N7O and a molecular weight of 433.42 g/mol. Its IUPAC name is N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID10477973
Molecular FormulaC22H17F2N7O
Molecular Weight433.42 g/mol
Exact Mass433.15
IUPAC NameN-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)c1ccccn1
InChIInChI=1S/C22H17F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-10,13-14H,11-12H2,(H,27,28)
InChIKeyQLPNTZLPNDVFJT-UHFFFAOYSA-N
XLogP3.99
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine with MolForge

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Related Compounds

N-(2,2-Difluoro-2-((2R)-piperidin-2-YL)ethyl)-2-(2-(1H-1,2,4-triazol-1-YL)benzyl)(1,3)oxazolo(4,5-C)pyridin-4-amine
CID 5287492
[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-(2-piperidin-2-yl-ethyl)-amine
CID 9954791
[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10004800
(2-{2-[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-ylamino]-ethyl}-piperidin-1-yl)-acetic acid
CID 10051489
[2-(3-Chloro-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-(2-piperidin-2-yl-ethyl)-amine
CID 10067786
[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-{2-[1-(2,2-difluoro-ethyl)-piperidin-2-yl]-ethyl}-amine
CID 10074752
(2-{2-[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-ylamino]-ethyl}-piperidin-1-yl)-acetic acid ethyl ester
CID 10098302
[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-[2-(1-phenyl-piperidin-2-yl)-ethyl]-amine
CID 10324635
[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-6-methyl-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10367956
[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-piperidin-2-yl-ethyl)-amine
CID 10390121
2-(2-{2-[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-ylamino]-ethyl}-piperidin-1-yl)-ethanol
CID 10390490
[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-benzooxazol-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 44404152

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 10477973) is N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)c1ccccn1.
What is the InChIKey of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is QLPNTZLPNDVFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-10,13-14H,11-12H2,(H,27,28).
What are the key properties of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 433.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 10477973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).