N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide

C25H20Cl2F2N6O3 — CID 118463293

IUPACN-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide
SMILESNc1noc2c(N3CC4CCC3C4NC(=O)c3ccc(-c4ccc(=O)n(C(F)F)c4)cc3Cl)ncc(Cl)c12
InChIInChI=1S/C25H20Cl2F2N6O3/c26-15-7-11(12-3-6-18(36)35(9-12)25(28)29)1-4-14(15)24(37)32-20-13-2-5-17(20)34(10-13)23-21-19(16(27)8-31-23)22(30)33-38-21/h1,3-4,6-9,13,17,20,25H,2,5,10H2,(H2,30,33)(H,32,37)
InChIKeyUFANDLMQPLGBSQ-UHFFFAOYSA-N
MW561.38 g/mol
LogP4.73
Rot. Bonds5

About N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide

N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide (PubChem CID 118463293) has the molecular formula C25H20Cl2F2N6O3 and a molecular weight of 561.38 g/mol. Its IUPAC name is N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide
PubChem CID118463293
Molecular FormulaC25H20Cl2F2N6O3
Molecular Weight561.38 g/mol
Exact Mass560.09
IUPAC NameN-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide
SMILESNc1noc2c(N3CC4CCC3C4NC(=O)c3ccc(-c4ccc(=O)n(C(F)F)c4)cc3Cl)ncc(Cl)c12
InChIInChI=1S/C25H20Cl2F2N6O3/c26-15-7-11(12-3-6-18(36)35(9-12)25(28)29)1-4-14(15)24(37)32-20-13-2-5-17(20)34(10-13)23-21-19(16(27)8-31-23)22(30)33-38-21/h1,3-4,6-9,13,17,20,25H,2,5,10H2,(H2,30,33)(H,32,37)
InChIKeyUFANDLMQPLGBSQ-UHFFFAOYSA-N
XLogP4.73
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.38
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide?
The IUPAC name of N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide (CID 118463293) is N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide?
The canonical SMILES for N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide is Nc1noc2c(N3CC4CCC3C4NC(=O)c3ccc(-c4ccc(=O)n(C(F)F)c4)cc3Cl)ncc(Cl)c12.
What is the InChIKey of N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide?
The InChIKey is UFANDLMQPLGBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F2N6O3/c26-15-7-11(12-3-6-18(36)35(9-12)25(28)29)1-4-14(15)24(37)32-20-13-2-5-17(20)34(10-13)23-21-19(16(27)8-31-23)22(30)33-38-21/h1,3-4,6-9,13,17,20,25H,2,5,10H2,(H2,30,33)(H,32,37).
What are the key properties of N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide?
N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide has a molecular weight of 561.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 118463293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).