2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

C24H26ClF2N7O — CID 10074752

IUPAC2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12
InChIInChI=1S/C24H26ClF2N7O/c25-17-4-5-19(34-15-28-14-31-34)16(11-17)12-22-32-23-20(35-22)7-9-30-24(23)29-8-6-18-3-1-2-10-33(18)13-21(26)27/h4-5,7,9,11,14-15,18,21H,1-3,6,8,10,12-13H2,(H,29,30)
InChIKeyRSJYFASOCLFHRR-UHFFFAOYSA-N
MW501.97 g/mol
LogP4.97
Rot. Bonds9

About 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 10074752) has the molecular formula C24H26ClF2N7O and a molecular weight of 501.97 g/mol. Its IUPAC name is 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID10074752
Molecular FormulaC24H26ClF2N7O
Molecular Weight501.97 g/mol
Exact Mass501.19
IUPAC Name2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12
InChIInChI=1S/C24H26ClF2N7O/c25-17-4-5-19(34-15-28-14-31-34)16(11-17)12-22-32-23-20(35-22)7-9-30-24(23)29-8-6-18-3-1-2-10-33(18)13-21(26)27/h4-5,7,9,11,14-15,18,21H,1-3,6,8,10,12-13H2,(H,29,30)
InChIKeyRSJYFASOCLFHRR-UHFFFAOYSA-N
XLogP4.97
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 10074752) is 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is FC(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12.
What is the InChIKey of 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is RSJYFASOCLFHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N7O/c25-17-4-5-19(34-15-28-14-31-34)16(11-17)12-22-32-23-20(35-22)7-9-30-24(23)29-8-6-18-3-1-2-10-33(18)13-21(26)27/h4-5,7,9,11,14-15,18,21H,1-3,6,8,10,12-13H2,(H,29,30).
What are the key properties of 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 501.97 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 10074752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).